成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 56962-11-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 56962-11-9
Chemical Structure| 56962-11-9
Structure of 56962-11-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 56962-11-9 ]

Related Doc. of [ 56962-11-9 ]

Alternatived Products of [ 56962-11-9 ]
Product Citations

Product Details of [ 56962-11-9 ]

CAS No. :56962-11-9 MDL No. :MFCD00052184
Formula : C7H5ClO2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZMOMCILMBYEGLD-UHFFFAOYSA-N
M.W : 156.57 Pubchem ID :185363
Synonyms :

Calculated chemistry of [ 56962-11-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.86
TPSA : 37.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.24
Log Po/w (XLOGP3) : 0.97
Log Po/w (WLOGP) : 1.86
Log Po/w (MLOGP) : 1.39
Log Po/w (SILICOS-IT) : 2.14
Consensus Log Po/w : 1.52

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.8
Solubility : 2.48 mg/ml ; 0.0159 mol/l
Class : Very soluble
Log S (Ali) : -1.34
Solubility : 7.14 mg/ml ; 0.0456 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.37
Solubility : 0.663 mg/ml ; 0.00424 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.09

Safety of [ 56962-11-9 ]

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:

Application In Synthesis of [ 56962-11-9 ]

* 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.

  • Downstream synthetic route of [ 56962-11-9 ]

[ 56962-11-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 56962-11-9 ]
  • [ 615-67-8 ]
  • 2
  • [ 56962-11-9 ]
  • [ 74-88-4 ]
  • [ 54439-75-7 ]
YieldReaction ConditionsOperation in experiment
70% With potassium carbonate; In water; N,N-dimethyl-formamide; Reference Example 20 -chloro-4-methoxybenzaldehyde To a solution of 2-chloro-4-hydroxybenzaldehyde (2 g, 12.8 mmol) in N,N-dimethylformamide (25 mL) were added potassium carbonate (3.46 g, 25 mmol) and methyl iodide (large excess) and the mixture was stirred at room temperature for 18 h. Water was added to the reaction mixture and the mixture was extracted with ethyl acetate. The organic layer was washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was evaporated under reduced pressure to give an almost pure title compound (1.55 g, 70percent). 1H-NMR (delta ppm, CDCl3): 3.89 (3H, s), 6.84-6.95 (2H, m), 7.90 (1H, d, J=8.8 Hz), 10.33 (1H, s)
With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 5h; Reference Example 49 2-Chloro-4-methoxybenzyl bromide To a suspension of 2-chloro-4-hydroxybenzaldehyde (0.50 g) and potassium carbonate (1.1 g) in N,N-dimethylformamide (5 mL) was added methyl iodide (0.40 mL) at room temperature, and the mixture was stirred at room temperature for 5 hours. The reaction mixture was poured into water, and the resulting mixture was extracted with diethyl ether. The extract was washed with water and brine successively, and dried over anhydrous sodium sulfate. The solvent was removed under reduced pressure to give 2-chloro-4-methoxybenzaldehyde (0.54 g). The title compound was prepared in a similar manner to that described in Reference Example 45 using this material instead of 4-isobutylbenzaldehyde.
Reference Example 8 2-chloro-4-methoxybenzaldehyde To suspension of sodium hydride (2.6 g; 62.6percent in oil) in dimethylformamide (80 ml), a solution of 2-chloro-4-hydroxybenzaldehyde (10.0 g) in dimethylformamide (50 ml) was dropped over 15 minutes. The mixture was stirred for 30 minutes. Methyl iodide (4.2 ml) was dropped into the reaction mixture over 10 minutes at 0 C, and stirred for 1 hour. The reaction mixture was poured into water and extracted with hexane / ethyl acetate (1: 1) The organic layer was washed with water and a saturated aqueous solution of sodium chloride, dried over anhydrous magnesium sulfate and concentrated to give the title compound (10.7 g) having the following physical data. TLC: Rf 0.61 (hexane: ethyl acetate = 3: 1); NMR (300MHz, CDCl3): delta 10.33 (d, J = 0.6Hz, 1H), 7.90 (d, J = 9.0Hz, 1H), 6.94 (d, J = 2.4Hz, 1H), 6.89 (ddd, J = 9.0, 2.4, 0.6Hz, 1H), 3.89 (s, 3H).
With potassium carbonate; In acetonitrile; at 50℃; Acetonitrile (70 ml), potassium carbonate (1.7 g, 12.3 mmol) and methyl iodide (0.71 ml, 12.3 mmol) were added to 2-chloro-4-hydroxybenzaldehyde (1.5 g, 9.6 mmol), and the mixture was stirred overnight at 50° C. A treatment according to a conventional method using ethyl acetate as an extraction solvent gave a crude product. The obtained crude product was dissolved in ethanol (30 ml) and sodium borohydride (433 mg, 9.6 mmol) were added, and the mixture was stirred overnight at room temperature. A treatment according to a conventional method using ethyl acetate as an extraction solvent gave a crude product. The obtained crude product was dissolved in thionyl chloride (5 ml) and, after stirring at room temperature for 4 hr, treated according to a conventional method using ethyl acetate as an extraction solvent. The obtained crude product was dissolved in dimethyl sulfoxide (30 ml), sodium cyanide (470 mg, 9.6 mmol) was added, and the mixture was stirred overnight at room temperature. A treatment according to a conventional method using ethyl acetate as an extraction solvent gave a crude product, which was successively purified by silica gel column chromatography to give a nitrile intermediate (770 mg, 4.25 mmol). 1H-NMR (300 MHz, CDCl3) delta 3.76 (2H, s), 3.81 (3H, s), 6.84 (1H, dd), 6.96 (1H, d), 7.38 (1H, d)
With potassium carbonate; In acetonitrile; at 20℃; To the solution of compound B8 (10 g, 64.1 mmol) in 100 ml. of CH3CN was added K2CO3 (18.0 g, 130.4 mmol) and MeI (20 mL, 321.0 mmol). The reaction was stirred at room temperature overnight. The reaction mixture was concentrated under reduced pressure to give 11 g of crude compound E2 used into the following reduction without the further purification.
With potassium carbonate; In N,N-dimethyl-formamide; at 25℃; for 16h; To a mixture of 2-chloro-4-hydroxybenzaldehyde (5 g, 31.94 mmol, 1.00 equiv) in N,N-dimethylformamide (80 mL) with potassium carbonate (9 g, 65.12 mmol, 2.04 equiv) was added CH3I (9 g, 63.41 mmol, 1.99 equiv). The reaction mixture was stirred for 16 h at 25°C. Water was added and the mixture was extracted with ethyl acetate thrice. The combined extracts were concentrated and chromatograph on silica gel (10:1 PE/EA) to yield 2-chloro-4- methoxybenzaldehyde as a light white solid.

  • 3
  • [ 56962-11-9 ]
  • [ 15469-97-3 ]
  • 3-chloro-4-[(1-trityl-1H-imidazol-2-yl)hydroxymethyl]phenol [ No CAS ]
YieldReaction ConditionsOperation in experiment
70.4% General procedure: To a solution of 1-tritylimidazole (8.12 g, 26.160 mmol) in anhydrous THF (165 mL) was added n-BuLi (1.28 M in THF, 20.0 mL, 1.67 g, 13.08 mmol) at -20°C over a period of 20 min under nitrogen atmosphere. The red solution was allowed to attain room temperature and stirred for 1 h, then cooled to -78°C. In a separate flask the appropriate aldehyde 1a?c (10.47 mmol) was dissolved in anhydrous THF (4 mL) and added to the red solution dropwise at -78 °C. The reaction mixture was stirred at -78°C for 1 h and slowly brought to room temperature during which red color tuned to yellow and then to colorless. After complete reaction, saturated NH4Cl (250 mL) was added to the reaction mixture at -78°C. The resulting mixture was extracted with EtOAc (3 x 100 mL); the organic layer was separated, washed with water, saturated NaCl, and dried over anhydrous Na2SO4. The organic layer was evaporated in vacuo and the residue washed with cold CH2Cl2.
Recommend Products
Same Skeleton Products

Technical Information

? Acidity of Phenols ? Alkyl Halide Occurrence ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Chan-Lam Coupling Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Electrophilic Substitution of the Phenol Aromatic Ring ? Etherification Reaction of Phenolic Hydroxyl Group ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Halogenation of Phenols ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Julia-Kocienski Olefination ? Kinetics of Alkyl Halides ? Knoevenagel Condensation ? Kumada Cross-Coupling Reaction ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mukaiyama Aldol Reaction ? Nozaki-Hiyama-Kishi Reaction ? Oxidation of Phenols ? Passerini Reaction ? Paternò-Büchi Reaction ? Pechmann Coumarin Synthesis ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reformatsky Reaction ? Reimer-Tiemann Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Stetter Reaction ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
Historical Records

Related Functional Groups of
[ 56962-11-9 ]

Aryls

Chemical Structure| 56962-10-8

[ 56962-10-8 ]

2-Chloro-3-hydroxybenzaldehyde

Similarity: 0.94

Chemical Structure| 1829-33-0

[ 1829-33-0 ]

3-Chloro-5-hydroxybenzaldehyde

Similarity: 0.94

Chemical Structure| 54439-75-7

[ 54439-75-7 ]

2-Chloro-4-methoxybenzaldehyde

Similarity: 0.92

Chemical Structure| 78443-72-8

[ 78443-72-8 ]

2,4-Dichloro-6-hydroxybenzaldehyde

Similarity: 0.90

Chemical Structure| 18362-30-6

[ 18362-30-6 ]

2-Chloro-6-hydroxybenzaldehyde

Similarity: 0.90

Chlorides

Chemical Structure| 56962-10-8

[ 56962-10-8 ]

2-Chloro-3-hydroxybenzaldehyde

Similarity: 0.94

Chemical Structure| 1829-33-0

[ 1829-33-0 ]

3-Chloro-5-hydroxybenzaldehyde

Similarity: 0.94

Chemical Structure| 54439-75-7

[ 54439-75-7 ]

2-Chloro-4-methoxybenzaldehyde

Similarity: 0.92

Chemical Structure| 78443-72-8

[ 78443-72-8 ]

2,4-Dichloro-6-hydroxybenzaldehyde

Similarity: 0.90

Chemical Structure| 18362-30-6

[ 18362-30-6 ]

2-Chloro-6-hydroxybenzaldehyde

Similarity: 0.90

Aldehydes

Chemical Structure| 56962-10-8

[ 56962-10-8 ]

2-Chloro-3-hydroxybenzaldehyde

Similarity: 0.94

Chemical Structure| 1829-33-0

[ 1829-33-0 ]

3-Chloro-5-hydroxybenzaldehyde

Similarity: 0.94

Chemical Structure| 54439-75-7

[ 54439-75-7 ]

2-Chloro-4-methoxybenzaldehyde

Similarity: 0.92

Chemical Structure| 78443-72-8

[ 78443-72-8 ]

2,4-Dichloro-6-hydroxybenzaldehyde

Similarity: 0.90

Chemical Structure| 18362-30-6

[ 18362-30-6 ]

2-Chloro-6-hydroxybenzaldehyde

Similarity: 0.90

; ;