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. 5326-38-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 5326-38-5
Chemical Structure| 5326-38-5
Structure of 5326-38-5 * 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 [ 5326-38-5 ]

Related Doc. of [ 5326-38-5 ]

Alternatived Products of [ 5326-38-5 ]
Product Citations

Product Citations

Frey, Brandon L. ; Thai, Phong ; Patel, Lauv , et al. DOI:

Abstract: The design and optimization of novel electrocatalysts requires robust structure-activity data to correlate catalyst structure with electrochem. behavior. Aryl iodides have been gaining attention as metal-free electrocatalysts but exptl. data are available for only a limited set of structures. Herein we report electrochem. data for a family of 70 aryl iodides. Half-peak potentials are utilized as proxies for reduction potentials and reveal that, despite differences in electrochem. reversibility, the potential for one-electron oxidation of 4-substituted aryl iodides to the corresponding iodanyl radicals is well-correlated with standard Hammett parameters. Addnl. data are presented for 3- and 2-substituted aryl iodides, including structures with potentially chelating 2-substituents that are commonly encountered in hypervalent iodine reagents. Finally, potential decomposition processes relevant to the (in)stability of iodanyl radicals are presented. We anticipate that the collected data will advance the design and application of aryl iodide electrocatalysis.

Keywords: hypervalent iodine ; electrochemistry ; linear free-energy relationships ; sustainable catalysis ; oxidation

Purchased from AmBeed: ; ; ;

Product Details of [ 5326-38-5 ]

CAS No. :5326-38-5 MDL No. :MFCD00051517
Formula : C7H6INO2 Boiling Point : -
Linear Structure Formula :- InChI Key :ARJHCXYRCLMLQN-UHFFFAOYSA-N
M.W : 263.03 Pubchem ID :79225
Synonyms :

Calculated chemistry of [ 5326-38-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.95
TPSA : 45.82 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.63 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.89
Log Po/w (XLOGP3) : 3.2
Log Po/w (WLOGP) : 2.51
Log Po/w (MLOGP) : 2.11
Log Po/w (SILICOS-IT) : 1.09
Consensus Log Po/w : 2.16

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.82
Solubility : 0.0394 mg/ml ; 0.00015 mol/l
Class : Soluble
Log S (Ali) : -3.83
Solubility : 0.0385 mg/ml ; 0.000147 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.12
Solubility : 0.201 mg/ml ; 0.000764 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.03

Safety of [ 5326-38-5 ]

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 [ 5326-38-5 ]

* 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 [ 5326-38-5 ]

[ 5326-38-5 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 5326-38-5 ]
  • [ 4949-69-3 ]
  • 2
  • [ 615-37-2 ]
  • [ 7745-92-8 ]
  • [ 5326-38-5 ]
  • [ 6277-17-4 ]
  • 3
  • [ 5326-38-5 ]
  • [ 4949-69-3 ]
  • [ 108-44-1 ]
  • 6
  • [ 67-56-1 ]
  • [ 201230-82-2 ]
  • [ 5326-38-5 ]
  • [ 62621-09-4 ]
YieldReaction ConditionsOperation in experiment
With triethylamine;palladium diacetate; In N,N-dimethyl-formamide; at 90℃; under 760.051 Torr; Example 1: Synthesis of PDZ domain inhibitor (2-(l-HydroxypentvD-3-(2-phenvlethvl)-6-methvl)indole-5-carboxylic acid [Formula (I); Table 1A, compound 11; [0067] The general scheme for this synthesis was (Scheme D):; [0068] Methyl (4-amino-5-iodo-2-methyl)benzoate (4); A mixture of 2-iodo-5-nitrotoluene (1,10 g), triethylamine (16 mL), palladium acetate (68 mg), methanol (20 mL) and DMF (10 mL) was stirred at 90C overnight under carbon monoxide atmosphere (1 atm). The reaction mixture was diluted with ethyl acetate (200 mL), washed with water twice (100 mL each) followed by brine (100 mL), dried (Na2S04), and evaporated. The residue was filtered through a short pad of silica gel and evaporated to give 2 as a crude oil. A mixture of 2, ethanol (140 mL), water (2 mL), hydrazine monohydrate (3.8 mL), ferric trichloride (0.17 g) and charcoal (0.1 g) was stirred under reflux for 3 hours. The reaction mixture was filtrated, diluted with ethyl acetate (200 mL), washed with water twice (100 mL each) followed by brine (100 mL), dried (Na2S04), and evaporated. The residue was filtered through a short pad of silica gel and evaporated to give 3 as a crude oil. To a mixture of 3, methanol (33 mL), calcium carbonate (10 g), iodine monochloride solution (33 mL, 1M in dichloromethane) was added slowly at 4C and stirred overnight at the ambient temperature. The reaction mixture was filtrated, diluted with ethyl acetate (200 mL), washed with aqueous sodium sulfite solution (100 mL), followed by brine (100 mL), dried (Na2SC>4), and evaporated. The residue was purified by column chromatography (silica gel 0.2 L, eluent: 10% ethyl acetate in hexanes) and evaporated to give 4 (4.30 g) as pale brown crystals. *H NMR (CDC13, 400 MHz) 8 8.28 (s, 1H), 6.54 (s, 1H), 4,39 (broad s, 2H), 3.84 (s, 3H), 2.50 (s, 3H).
  • 7
  • [ 5326-38-5 ]
  • [ 98-80-6 ]
  • [ 91718-52-4 ]
YieldReaction ConditionsOperation in experiment
99% With potassium carbonate; In water; at 50.0℃; for 1.0h; General procedure: In a test tube equipped with a magnetic stirrer bar, thearyl halide 1 (1 mmol) was mixed with phenyl boricacid 2 (1.2 mmol), K2CO3(2 mmol), and the Pd-catalyst(0.1mol% Pd) in 2 ml of H2Oin air. The reaction mixturewas then stirred at 50 C for appropriate time. After completionof the reaction, the catalyst was removed by magnetand washed with ethanol and water (3 × 5 ml). The aqueouslayer was extracted with chloroform, then organic layerdried over anhydrous MgSO4.The solvent was evaporatedunder reduced pressure to give the corresponding biarylcompounds. All the products were previously reported [5,8-12] and were confirmed by the spectroscopic methodusing 1H and 13C NMR (see supporting information).
96% With 0.1 % Cu/C; potassium carbonate; In water; at 50.0℃; for 2.0h;Green chemistry; General procedure: In a test tube, 1.0 mmol of aryl halides 1, 1.2 mmol of phenylboronic acid 2 were mixed together and then 2.0 mmol of K2CO3, and the Cu/Cnano-catalyst (0.1 mol % Cu) in 2 mL of H2O, were added in air. The reaction mixture was then stirred at 50 C for appropriate time. After completion of the reaction (monitored by TLC), the catalyst was removed by simple filtration. The recycled catalyst was was hed with ethanol and water (3 × 5 mL) and dried at 60 C in oven for further use. The aqueous layer was extracted with ethyl acetate, and organic layer dried over anhydrous MgSO4. The solvent was evaporated under reduced pressure to give the corresponding biaryl compounds.
94% With potassium carbonate; In water; at 60.0℃; for 1.5h;Green chemistry; General procedure: A mixture of Fe3O4(at)SiO2-NHC-Pd(II) (0.006 g, 0.37 mol%), arylboronic acid (1.1 mmol), aryl halide (1.0 mmol), and K2CO3(2 mmol) in H2O (3 mL)was stirred at 60 C for the appropriate timeas indicated in Table 3. The completion of the reaction was monitoredby TLC. After completion of the reaction, the catalyst wasremoved by an external magnetic field and was then washed withH2O (5 mL) and ethyl acetate (10 mL). The organic layer was separated,dried over anhydrous Na2SO4, and filtered. Then, the solventwas evaporated under reduced pressure. The pure product wasobtained via silica gel column chromatography with an eluent of nhexaneand ethylacetate.
92% With potassium carbonate; In N,N-dimethyl-formamide; at 80.0℃; for 2.0h; General procedure: To a suspension of aryl halide (1.0mmol), K2CO3 (2.0mmol) and Pd complex (0.3mol %) in DMF (5mL) phenylboronic acid (1.2mmol) was added. The reaction mixture was stirred at 80C for an appropriate time. After completion of the reaction, the procedure was followed as outlined in Section 2.6.
88% With tetrabutylammomium bromide; potassium carbonate; In water; at 40.0℃; for 0.416667h; General procedure: Typically, a 10-mL round-bottom flask was charged withiodobenzene (1.0 mmol, 0.204 g), phenylboronic acid(1.1 mmol, 0.134 g), K2CO3(1.2 mmol, 0.165 g), TBAB(0.2 mmol, 0.064 g), H2O(3 mL) and 0.0015 g of gamma-Fe2O3/AEPH2-TC-Pd (0.1 mol%). The resultant mixture was heatedunder stirring at 40 C for 10 min. After completion of thereaction (as judged by TLC), the reaction mixture wasallowed to cool down to room temperature and the nanocatalystwas easily separated by using a proper magnetic field,washed with EtOH and vacuum-dried at 50 C to be ready for utilizing in successive runs. Subsequently, the reactionmixture was extracted with ethyl acetate (5 × 5 mL). Combinedorganic phase was dried over anhydrous Na2SO4,andsolvent was next removed on a rotary evaporator. Thereafter,the obtained crude product was chromatographed on silicagel (eluted with n-hexane:ethyl acetate; 50:1), to afford thecorresponding pure product (0.148 g, % 98 yield).
85% With potassium carbonate; In water; at 80.0℃; for 0.5h; General procedure: Potassium carbonate (1.5 mmol, 0.207 g) was added to a mixture of iodobenzene (1.0 mmol, 0.203 g) and phenylboronic acid (1.2 mmol, 0.146 g), in water (3 mL) at 80 C. Then, to the resulting mixture ZrO2(at)AEPH2-PPh2-Pd(0) (0.2 mol%, 0.004 g) was added under stirring. After the completion of the reaction (20 min) which was monitored by TLC, the nanocatalyst was recovered by centrifugation, washed with ethyl acetate and dried under vacuum at 100 C for 24 h. The reaction mixture was then extracted with ethyl acetate (5 × 5 mL) and the combined organic layer was dried over anhydrous Na2SO4. After evaporation of the solvent, the crude product was purified by thin layer chromatography using n-hexane/ethyl acetate (50/1) to afford the pure product (0.145 g, % 95 yield).
80% With potassium carbonate; In water; at 90.0℃; for 0.5h;Green chemistry; General procedure: In a typicalprocedure,iodobenzene (1.0 mmol, 0.203 g), phenylboronicacid (1.2 mmol, 0.146 g), potassium carbonate(1.5 mmol, 0.207 g), ZrO2ECP-Pd nanocatalyst (0.31 mol%,0.005 g), and water (3 mL) were allowed to react at 90 C. Uponthe completion of the reaction which was monitored by TLC,the reaction mixture was cooled to room temperature and thecatalyst was separated by centrifuge. The resulting solution wasextracted with ethyl acetate (310 mL). The organic layerswere combined, dried with sodium sulfate, and filtered. Thefiltrate was concentrated by vacuum and purified by thinlayerchromatography usingn-hexane/ethyl acetate (50/1) to affordthe pure product (0.150 g, %98 yield).

Reference： [1]Catalysis Letters,2017,vol. 147,p. 1162 - 1171
[2]Applied Organometallic Chemistry,2017,vol. 31
[3]Organic Letters,2016,vol. 18,p. 312 - 315
[4]Catalysis Communications,2017,vol. 92,p. 40 - 45
[5]Bulletin of the Korean Chemical Society,2011,vol. 32,p. 2584 - 2592
[6]Applied Organometallic Chemistry,2020
[7]Journal of Organometallic Chemistry,2018,vol. 873,p. 22 - 34
[8]Journal of Organometallic Chemistry,2013,vol. 743,p. 10 - 16
[9]Journal of Organometallic Chemistry,2010,vol. 695,p. 2093 - 2097
[10]Tetrahedron,2017,vol. 73,p. 5624 - 5633
[11]Applied Organometallic Chemistry,2019,vol. 33
[12]Bulletin of the Chemical Society of Japan,2011,vol. 84,p. 100 - 109
[13]Green Chemistry,2017,vol. 19,p. 5625 - 5641
[14]Journal of the Chinese Chemical Society,2015,vol. 62,p. 614 - 626
[15]Applied Organometallic Chemistry,2013,vol. 27,p. 451 - 458
[16]Journal of the Chinese Chemical Society,2013,vol. 60,p. 425 - 436
[17]Catalysis Letters,2017,vol. 147,p. 2640 - 2655
[18]Journal of Organometallic Chemistry,2012,vol. 708-709,p. 118 - 124
[19]Applied Organometallic Chemistry,2012,vol. 26,p. 417 - 424
[20]Catalysis Letters,2017,vol. 147,p. 360 - 373
[21]Journal of Organometallic Chemistry,2014,vol. 759,p. 46 - 57
[22]Bulletin of the Chemical Society of Japan,2016,vol. 89,p. 1192 - 1200
[23]Applied Organometallic Chemistry,2014,vol. 28,p. 337 - 346
[24]Journal of Molecular Catalysis A: Chemical,2014,vol. 394,p. 74 - 82
[25]Journal of Solid State Chemistry,2011,vol. 184,p. 3095 - 3103
[26]Green Chemistry,2020,vol. 22,p. 2069 - 2076
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 5326-38-5 ]

Aryls

Chemical Structure| 41252-98-6

[ 41252-98-6 ]

1-Iodo-2-methyl-3-nitrobenzene

Similarity: 0.89

Chemical Structure| 5326-39-6

[ 5326-39-6 ]

1-Iodo-4-methyl-2-nitrobenzene

Similarity: 0.89

Chemical Structure| 7745-92-8

[ 7745-92-8 ]

2-Iodo-1-methyl-4-nitrobenzene

Similarity: 0.89

Chemical Structure| 4102-38-9

[ 4102-38-9 ]

1-Iodo-2,4-dimethyl-5-nitrobenzene

Similarity: 0.88

Chemical Structure| 41252-97-5

[ 41252-97-5 ]

4-Iodo-2-nitrotoluene

Similarity: 0.88

Nitroes

Chemical Structure| 41252-98-6

[ 41252-98-6 ]

1-Iodo-2-methyl-3-nitrobenzene

Similarity: 0.89

Chemical Structure| 5326-39-6

[ 5326-39-6 ]

1-Iodo-4-methyl-2-nitrobenzene

Similarity: 0.89

Chemical Structure| 7745-92-8

[ 7745-92-8 ]

2-Iodo-1-methyl-4-nitrobenzene

Similarity: 0.89

Chemical Structure| 4102-38-9

[ 4102-38-9 ]

1-Iodo-2,4-dimethyl-5-nitrobenzene

Similarity: 0.88

Chemical Structure| 41252-97-5

[ 41252-97-5 ]

4-Iodo-2-nitrotoluene

Similarity: 0.88

; ;