[ CAS No. 487-89-8 ] {[proInfo.proName]}

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Quality Control of [ 487-89-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 487-89-8 ]

SDS Specification

Alternatived Products of [ 487-89-8 ]

Product Details of [ 487-89-8 ]

CAS No. :	487-89-8	MDL No. :	MFCD00005622
Formula :	C₉H₇NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OLNJUISKUQQNIM-UHFFFAOYSA-N
M.W :	145.16	Pubchem ID :	10256
Synonyms :	3-Formylindole;Indole-3-formaldehyde;NSC 10118;β-Indolylaldehyde

Calculated chemistry of [ 487-89-8 ] Expand+

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	43.69
TPSA :	32.86 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.12
Log Po/w (XLOGP3) :	1.93
Log Po/w (WLOGP) :	1.98
Log Po/w (MLOGP) :	0.88
Log Po/w (SILICOS-IT) :	2.69
Consensus Log Po/w :	1.72

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.5
Solubility :	0.464 mg/ml ; 0.0032 mol/l
Class :	Soluble
Log S (Ali) :	-2.24
Solubility :	0.828 mg/ml ; 0.0057 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.21
Solubility :	0.0897 mg/ml ; 0.000618 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Safety of [ 487-89-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Applications of [ 487-89-8 ]

Indole-3-carboxaldehyde (CAS: 487-89-8) can be used in the preparation of Indole-3-carbinol (CAS: 700-06-1). ndole-3-carbinol (I3C) suppresses NF-κB activity while acting as an agonist for the Aryl hydrocarbon receptor (AhR) and inhibiting WWP1 (WW domain-containing ubiquitin E3 ligase 1).

Application In Synthesis of [ 487-89-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 487-89-8 ]
Downstream synthetic route of [ 487-89-8 ]

[ 487-89-8 ] Synthesis Path-Upstream 1~1

1
[ 487-89-8 ]
[ 1670-85-5 ]

Reference： [1] Russian Journal of General Chemistry, 2017, vol. 87, # 12, p. 3006 - 3016

[ 487-89-8 ] Synthesis Path-Downstream 1~20

1
[ 487-89-8 ]
[ 58656-98-7 ]
4-(3-Formyl-indol-1-yl)-benzoic acid tert-butyl ester [ No CAS ]

Reference： [1]Synthetic Communications,1994,vol. 24,p. 123 - 129

2
[ 487-89-8 ]
[ 124-40-3 ]
[ 700-06-1 ]
[ 87-52-5 ]

Reference： [1]Heterocycles,1993,vol. 36,p. 2783 - 2804

3
[ 487-89-8 ]
[ 3290-06-0 ]
[ 93548-82-4 ]

Reference： [1]Archiv der Pharmazie,1984,vol. 317,p. 847 - 851

4
[ 487-89-8 ]
[ 22259-53-6 ]

Yield	Reaction Conditions	Operation in experiment
100%		Indole-3-carboxaldehyde (189 mg, 1.3 mmol) and NH4OH .bul. HCl (113 mg, 1.63 mmol) were dissolved in a Parr flask with 15 mL of MeOH, which was previously saturated with anhydrous ammonia. The flask was stoppered and placed on a Parr shaker for 5 hours. To the resulting solution was added 200 mg of Raney Nickel (50percent slurry in H2O) and the flask was pressurized to 60 psi with H2 and allowed to shake overnight. The next day, the resulting mixture was filtered through celite and volatiles were removed to yield a yellow solid, 190 mg (100percent yield). The product was unstable, so it was used immediately in subsequent reactions without further purification. 1H NMR (CDCl3/CD3OD) delta 8.04 (br s, 1H, NH), 7.67 (d, 1H, ArH, J=7.8), 7.39 (d, 1H, ArH, J=7.1), 7.16 (3H, ArH), 4.07 (d, 2H, ArCH2 J=7.4 Hz).

Reference： [1]Patent: US2007/105907,2007,A1 .Location in patent: Page/Page column 7
[2]Heterocycles,1992,vol. 33,p. 77 - 80
[3]Journal of Medicinal Chemistry,2006,vol. 49,p. 684 - 692
[4]Archiv der Pharmazie,1994,vol. 327,p. 105 - 114
[5]Synthetic Communications,1988,vol. 18,p. 671 - 674
[6]New Journal of Chemistry,2018,vol. 42,p. 13549 - 13557

5
[ 487-89-8 ]
[ 700-06-1 ]
[ 22259-53-6 ]
[ 93742-14-4 ]

Reference： [1]Heterocycles,1993,vol. 36,p. 2783 - 2804

6
[ 487-89-8 ]
[ 22259-53-6 ]
[ 93742-14-4 ]

Reference： [1]Heterocycles,1993,vol. 36,p. 2783 - 2804
[2]Heterocycles,1993,vol. 36,p. 2783 - 2804

7
[ 700-06-1 ]
[ 487-89-8 ]

Yield	Reaction Conditions	Operation in experiment
87%	With LACTIC ACID; dihydrogen peroxide; at 30℃; for 7h;	General procedure: A mixture of alcohol (1 mmol) and lactic acid (1 mL) was charged in 25 mL round bottom flask subjected to constant magnetic stirring at room temperature (30C). The reaction mixture was further activated by addition of 30% H2O2 (1.07 equiv.). The reaction progress was monitored by GC. After completion of the reaction, Dichloromethane (2×6 mL) was added to the reaction mixture and then washed with distilled water (2×2mL). The organic layer was separated and dried over Na2SO4 and removed under reduced pressure. The crude product was obtained by evaporation method and again purified by column chromatography using ethyl acetate and n-hexane as eluting system.
82%	With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate; In water; acetonitrile; at 20℃; for 6h;Green chemistry;	General procedure: A mixture of alcohol (5.0 mmol), Cu(OAc)2 (9.1 mg, 0.05 mmol), and TEMPO (7.8 mg, 0.05 mmol) in CH3CN/H2O (5/10 mL) was stirred at room temperature for specified time. After completion of the reaction (monitored by TLC, eluents: petroleum ether/ethyl acetate = 4/1), dichloromethane (10 mL) was added to the resulting mixture. The dichloromethane phase was separated, and the aqueous phase was further extracted with dichloromethane (10 mL × 2). The combined organic layers were dried over anhydrous sodium sulfate and concentrated to give a residue, which was purified by column chromatography (eluents: petroleum ether/ethyl acetate = 10/1) to provide the desired product.
72%	With magnetic polydopamine-wrapped Fe3O4 core-shell submicrosphere-supported nano-palladium; air; In o-xylene; at 120℃; for 24h;Sonication;	General procedure: Approximately 0.1 g of Fe3O4(at)PDAPd catalyst (2 mol% of Pd) was used. The aforementioned solidand liquor were separated using a magnet and placed under ultrasonic washing using 10 mL 3O-xylene. Then, 1 mmol of benzyl alcohol derivative and 5 mL of O-xylene were successively added and blended under ultrasonic conditions. The mixture was then magnetically stirred for 24 h under 120 C. After the reaction ended, the solid and liquor were separated using a magnet. The liquor wasconcentrated, and the dehydrogenation product could be obtained after purification through column chromatography (petroleum ether/ethyl acetate).

43%

With 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodofluorescein disodium salt; oxygen; ammonium thiocyanate; In acetonitrile; at 20℃; for 20h;Irradiation;

General procedure: A glass vial fitted with magnetic stirrer and a magnetic bar containing a reaction mixture of alcohol (0.1 mmol), NH4SCN (3 eq.), catalyst (5 mol%) and 2 ml of solvent. The vial was closed with rubber septum and O2 was bubbling for 15 minutes using needles. The reaction mixture was irradiated under a 23W CFL lamp for a certain time period. Reaction progress was monitored by TLC. After, completion of the reaction, a yellow solid was formed. The reaction mixture of three vials with the same content were combined and filter it through whatman filter paper. The mixture was evaporated under reduced pressure and purified by column chromatography using hexane/ethyl acetate as eluent. Further, the reaction mixture was run on a GC-MS instrument for characterisation. Yield, conversion and selectivity were calculated using following equations.

Reference： [1]Journal of Organic Chemistry,1995,vol. 60,p. 7272 - 7276
[2]Chemical and Pharmaceutical Bulletin,1989,vol. 37,p. 3239 - 3242
[3]Tetrahedron Letters,2018,vol. 59,p. 3443 - 3447
[4]Journal of the American Chemical Society,2013,vol. 135,p. 15742 - 15745
[5]Tetrahedron Letters,2014,vol. 55,p. 1677 - 1681
[6]New Journal of Chemistry,2017,vol. 41,p. 2372 - 2377
[7]RSC Advances,2014,vol. 4,p. 40561 - 40568
[8]ACS Catalysis,2018,vol. 8,p. 5425 - 5430
[9]Molecules,2019,vol. 24
[10]RSC Advances,2015,vol. 5,p. 81415 - 81428
[11]Catalysis Communications,2016,vol. 77,p. 9 - 12
[12]Tetrahedron Letters,2018,vol. 59,p. 247 - 251
[13]Organic Letters,2015,vol. 17,p. 2610 - 2613

8
[ 487-89-8 ]
[ 81779-27-3 ]

Reference： [1]Heterocycles,1996,vol. 43,p. 1855 - 1858

9
[ 110-89-4 ]
[ 487-89-8 ]
[ 2478-38-8 ]
[ 100-39-0 ]
(E)-1-(4-Benzyloxy-3,5-dimethoxyphenyl)-3-(indol-3-yl)-2-propen-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In ethanol; acetone;	EXAMPLE 71 (E)-1-(4-Benzyloxy-3,5-dimethoxyphenyl)-3-(indol-3-yl)-2-propen-1-one (Compound 71) 4'-Hydroxy-3',5'-dimethoxyacetophenone (1.57 g) and benzyl bromide (1.35 g) were dissolved in acetone (50 ml), and potassium carbonate (1.70 g) was added thereto, followed by heating under reflux for 24 hours. Insoluble matters were filtered off, and the filtrate was concentrated under reduced pressure. The residue was washed with hexane and collected by filtration. The obtained crystals (1.96 g) and indole-3-carboxaldehyde (0.99 g) were dissolved in ethanol (10 ml), and piperidine (0.85 g) was added thereto, followed by heating under reflux for 32 hours. The reaction solution was concentrated under reduced pressure, and the residue was purified by silica gel column chromatography. The obtained crude crystals were recrystallized from a mixed solvent of ethyl acetate and hexane to give Compound 71 (0.17 g). 1 H-NMR (270 MHz, DMSO-d6) delta3.92 (s, 6H), 5.03 (s, 2H), 7.21-7.25 (m, 2H), 7.31-7.41 (m, 5H), 7.45-7.52 (m, 3H), 7.63 (d, J=15.3 Hz, 1H), 8.05 (m, 1H), 8.06 (d, J=15.3 Hz, 1H), 8.15 (d, J=3.0Hz, 1H), 11.91 (s, 1H) EI-MS m/z=413 (M+) Elemental analysis: C26 H23 NO4 Calcd.(%): C, 75.53; H, 5.61; N, 3.39 Found (%): C, 75.41; H, 5.45; N, 3.38
	With potassium carbonate; In ethanol; acetone;	Example 3 (E)-1-(4-Benzyloxy-3,5-dimethoxyphenyl)-3-(indol-3-yl)-2-propen-1-one (Compound 3) 4'-Hydroxy-3',5'-dimethoxyacetophenone (1.57 g) and benzyl bromide (1.35 g) were dissolved in acetone (50 ml), and potassium carbonate (1.70 g) was added thereto, followed by heating under reflux for 24 hours. Insoluble matters were filtered off, and the filtrate was concentrated under reduced pressure. The residue was washed with hexane and collected by filtration. The obtained crystals (1.96 g) and indole-3-carboxaldehyde (0.99 g) were dissolved in ethanol (10 ml), and piperidine (0.85 g) was added thereto, followed by heating under reflux for 32 hours. The reaction solution was concentrated under reduced pressure, and the residue was purified by silica gel column chromatography. The obtained crude crystals were recrystallized from a mixed solvent of ethyl acetate and hexane to give Compound 3 (0.17 g). 1H-NMR (270 MHz, DMSO-d6) delta 3.92 (s, 6H), 5.03 (s, 2H), 7.21-7.25 (m, 2H), 7.31-7.41 (m, 5H), 7.45-7.52 (m, 3H), 7.63 (d, J = 15.3 Hz, 1H), 8.05 (m, 1H), 8.06 (d, J = 15.3 Hz, 1H), 8.15 (d, J = 3.0Hz, 1H), 11.91 (s, 1H) EI-MS m/z = 413 (M+)

Reference： [1]Patent: US5952355,1999,A
[2]Patent: EP770601,1997,A1

10
[ 110-89-4 ]
[ 487-89-8 ]
[ 2478-38-8 ]
(E)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(indol-3-yl)-2-propen-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol;	EXAMPLE 70 (E)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(indol-3-yl)-2-propen-1-one (Compound 70) 4'-Hydroxy-3',5'-dimethoxyacetophenone (1.96 g) and indole-3-carboxaldehyde (1.45 g) were dissolved in ethanol (20 ml), and piperidine (0.85 g) was added thereto, followed by heating under reflux for 32 hours. The reaction solution was concentrated under reduced pressure, and the residue was purified by silica gel column chromatography. The obtained crude crystals were recrystallized from ethyl acetate to give Compound 70 (0.62 g). 1 H-NMR (270 MHz, DMSO-d6) delta3.91 (s, 6H), 7.19-7.26 (m, 2H), 7.40 (s, 2H), 7.48 (m, 1H), 7.65 (d, J=15.6 Hz, 1H), 8.02 (d, J=15.6 Hz, 1H), 8.05 (m, 1H), 8.11 (d, J=2.5 Hz, 1H), 9.26 (s, 1H), 11.91 (s, 1H) EI-MS m/z=323 (M+) Elemental analysis: C19 H17 NO4 Calcd.(%): C, 70.57; H, 5.30; N, 4.33 Found (%): C, 70.56; H, 5.34; N, 4.38
	In ethanol;	Example 2 (E)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-3-(indol-3-yl)-2-propen-1-one (Compound 2) 4'-Hydroxy-3',5'-dimethoxyacetophenone (1.96 g) and indole-3-carboxaldehyde (1.45 g) were dissolved in ethanol (20 ml), and piperidine (0.85 g) was added thereto, followed by heating under reflux for 32 hours. The reaction solution was concentrated under reduced pressure, and the residue was purified by silica gel column chromatography. The obtained crude crystals were recrystallized from ethyl acetate to give Compound 2 (0.62 g). 1H-NMR (270 MHz, DMSO-d6) delta 3.91 (s, 6H), 7.19-7.26 (m, 2H), 7.40 (s, 2H), 7.48 (m, 1H), 7.65 (d, J = 15.6 Hz, 1H), 8.02 (d, J = 15.6 Hz, 1H), 8.05 (m, 1H), 8.11 (d, J = 2.5 Hz, 1H), 9.26 (s, 1H), 11.91 (s, 1H) EI-MS m/z = 323 (M+)

Reference： [1]Patent: US5952355,1999,A
[2]Patent: EP770601,1997,A1

11
[ 487-89-8 ]
[ 57497-39-9 ]
[ 1271304-01-8 ]

Yield	Reaction Conditions	Operation in experiment
76%	With sodium sulfate; triethylamine; In tetrahydrofuran; at 80℃; for 33h;Microwave irradiation;	General procedure: In a 20 mL glass tube equipped with septa, the aldehyde, dry Na2SO4 (2.81 equiv) and triethylamine (2 equiv) were suspended in dry THF. Then, the hydroxylamine hydrochloride (2 equiv) was added. The mixture was stirred for 30 s, and then exposed to MWI (250 W) at 80 °C during the time indicated for each compound. When the reaction was over (TLC analysis), the reaction mixture was diluted with water, extracted with CH2Cl2, dried over anhydrous sodium sulphate, filtered and the solvent was evaporated. The resultant solid was purified by column chromatography to give pure compounds.

Reference： [1]Bioorganic and Medicinal Chemistry,2011,vol. 19,p. 951 - 960

12
[ 487-89-8 ]
[ 97-08-5 ]
[ 946413-48-5 ]

Reference： [1]Journal of Agricultural and Food Chemistry,2013,vol. 61,p. 5696 - 5705

13
[ 487-89-8 ]
[ 1668-54-8 ]
[ 1465740-11-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 5968 - 5970

14
[ 487-89-8 ]
[ 75-18-3 ]
[ 39974-94-2 ]

Reference： [1]Asian Journal of Chemistry,2013,vol. 25,p. 8741 - 8748

15
[ 487-89-8 ]
[ 34800-90-3 ]
[ 15641-18-6 ]

Yield	Reaction Conditions	Operation in experiment
67.8%	In ethanol;Reflux;	General procedure: solutionof acid hydrazide (0.01 mol) and appropriate benzaldehyde/acetophenone (0.01 mol) in ethanol was refluxed for 5-6 h. The precipitated title compounds were then filtered off, washed with water and recrystallized from ethanol.

Reference： [1]Medicinal Chemistry,2013,vol. 9,p. 249 - 274

16
[ 487-89-8 ]
[ 5654-97-7 ]
[ 179341-29-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium ethanolate; In ethanol; at 20℃;	General procedure: Various aldehydes (1.0 equiv) were added to stirred solutions of indolin-2-one, 5-chloroindolin-2-one or <strong>[5654-97-7]7-azaoxindole</strong> (1.0equiv) in absolute ethanol. After stirring at room temperature for 5 min NaOEt/EtOH (0.5 mL) was added and the mixture was then stirred at room temperature overnight. The solvent was then removed under vacuum. The residue was washed with saturated sodium chloride solution and then extracted with ethyl acetate. The organic layer was dried over anhydrous magnesium sulfate and concentrated under vacuum. The solid part was purified by chromatography over silica gel using ethyl acetate/petroleum ether as the eluent to afford desired compounds 1a-1g, 2a, 3a.

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 6953 - 6960

17
[ 487-89-8 ]
[ 57497-39-9 ]
C₁₃H₁₆N₂O [ No CAS ]

Reference： [1]ACS Catalysis,2016,vol. 6,p. 84 - 91

18
[ 487-89-8 ]
[ 1123-93-9 ]
[ 4712-55-4 ]
diphenyl (benzo[d]thiazol-5-ylamino)(1H-indol-3-yl)methylphosphonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
79%	With hydrogen trititanate; In neat (no solvent); at 20℃; for 0.25h;Green chemistry;	General procedure: Dialkyl/diaryl phosphite (1.0 mmol) was added portion wise over a period of 5 min to the stirred mixture of heterocyclic aldehyde (1.0 mmol) and benzothiazole amine (1.0 mmol) at room temperature. Further 5 mol percent of TNT was added to the reaction mixture and the stirring was continued for 15 min. After the completion of the reaction as monitored through TLC, the reaction mixture was dissolved in EtOAc (2 mL) and the catalyst was separated by centrifugation followed by subsequent washings with EtOAc. The recovered catalyst was reused for the next cycle. The filtrate was washed with brine, dried over anhydrous Na2SO4, filtered, and concentrated on a rotary evaporator and the resulting residue was purified by silica gel column chromatography (70:30, hexane/EtOAc) to afford the corresponding pure alpha-aminophosphonate. The novel alpha-aminophosphonates were structurally assigned by their IR, NMR (1H, 13C & 31P), and mass spectral (HRMS) analyses.

Reference： [1]Tetrahedron Letters,2016,vol. 57,p. 696 - 702

19
[ 487-89-8 ]
[ 54396-44-0 ]
[ 868-85-9 ]
dimethyl ((1H-indol-3-yl)((2-methyl-3-(trifluoromethyl)phenyl)amino)methyl)phosphonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
95%	With chitosan; In neat (no solvent); at 75℃; for 0.05h;Microwave irradiation; Green chemistry;	General procedure: An equimolar mixture of <strong>[54396-44-0]2-methyl-3-(trifluoromethyl)aniline</strong> (0.351 g, 0.002 mol), corresponding aldehyde (0.002 mol), dimethyl phosphite (0.18 ml, 0.002 mol) and chitosan catalyst (10 molpercent) were taken in a reaction glass tube, degassed for 10 min and microwave irradiated at 180 W for 2 min at 60 °C. The progress of the reaction was monitored by TLC using petroleum ether and ethyl acetate (3:7) as solvent. After completion of the reaction, the mixture was diluted with ethyl acetate, washed with water (2 x 15 ml) followed by brine (1 x 10 ml), dried over Na2SO4 and evaporated to dryness. The crude mass was purified by column chromatography on silicagel (100-200 mesh) by using a 7:3 mixture of ethyl acetate in hexane to afford the pure alpha-aminophosphonates.

Reference： [1]Research on Chemical Intermediates,2017,vol. 43,p. 7087 - 7103

20
[ 487-89-8 ]
[ 108-24-7 ]
[ 13214-64-7 ]
4-[(1-acetyl-1H-indol-3-yl)methylene]-2-(4-methoxyphenyl)oxazol-5(4H)-one [ No CAS ]

Reference： [1]Journal of Enzyme Inhibition and Medicinal Chemistry,2018,vol. 33,p. 629 - 638

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Technical Information

? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Bucherer-Bergs Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Fischer Indole Synthesis ? Grignard Reaction ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Julia-Kocienski Olefination ? Knoevenagel Condensation ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mukaiyama Aldol Reaction ? Nozaki-Hiyama-Kishi Reaction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Amines ? Reformatsky Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Stetter Reaction ? Stobbe Condensation ? Tebbe Olefination ? Ugi Reaction ? Wittig Reaction ? Wolff-Kishner Reduction

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P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 487-89-8 ] {[proInfo.proName]}

Quality Control of [ 487-89-8 ]

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Product Details of [ 487-89-8 ]

Calculated chemistry of [ 487-89-8 ] Expand+

Physicochemical Properties

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Applications of [ 487-89-8 ]

Application In Synthesis of [ 487-89-8 ]

[ 487-89-8 ] Synthesis Path-Upstream 1~1

[ 487-89-8 ] Synthesis Path-Downstream 1~20

Technical Information

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Aldehydes

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[ 487-89-8 ]

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[ 487-89-8 ]