(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetonitrile

Base Information

Chemical Name:(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetonitrile
CAS No.:60011-55-4
Molecular Formula:C19H18 N2 O
Molecular Weight:290.36
Hs Code.:2933990090
NSC Number:54773
DSSTox Substance ID:DTXSID30288218
Wikidata:Q82024538
ChEMBL ID:CHEMBL149311
Mol file:60011-55-4.mol

Synonyms:60011-55-4;2-(1-BENZYL-5-METHOXY-2-METHYL-INDOL-3-YL)ACETONITRILE;2-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]acetonitrile;(1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetonitrile;NSC54773;1H-Indole-3-acetonitrile,5-methoxy-2-methyl-1-(phenylmethyl)-;NCIOpen2_001970;CHEMBL149311;DTXSID30288218;NSC-54773;A835427;2-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]ethanenitrile

Suppliers and Price of (1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of (1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetonitrile

Chemical Property:

Vapor Pressure:1.28E-10mmHg at 25°C
Boiling Point:512.6°C at 760 mmHg
Flash Point:263.8°C
PSA：37.95000
Density:1.09g/cm³
LogP:4.07268
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:290.141913202
Heavy Atom Count:22
Complexity:409

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)CC#N

Technology Process of (1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetonitrile

There total 10 articles about (1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.5%

: 7677-24-9
trimethylsilyl cyanide

: 111055-30-2
3-(hydroxymethyl)-2-methyl-1-(phenylmethyl)-5-methoxyindole

: 60011-55-4
3-(cyanomethyl)-2-methyl-1-(phenylmethyl)-5-methoxyindole

Guidance literature:: With boron trifluoride diethyl etherate; In dichloromethane; at 0 ℃; for 1h;
DOI:10.1016/S0968-0896(00)00292-3

Reference yield:

: 73967-75-6
3-(carbomethoxy)-2-methyl-1-(phenylmethyl)-5-hydroxyindole

: 60011-55-4
3-(cyanomethyl)-2-methyl-1-(phenylmethyl)-5-methoxyindole

Guidance literature:: Multi-step reaction with 3 steps

1: 57.2 percent / tetrabutylammonium bromide; aq. NaOH / 0.5 h / Heating

2: 63 percent / LiAlH₄ / tetrahydrofuran / 17 h / 20 °C

3: 72.5 percent / BF₃*OEt₂ / CH₂Cl₂ / 1 h / 0 °C

With sodium hydroxide; lithium aluminium tetrahydride; boron trifluoride diethyl etherate; tetrabutylammomium bromide; In tetrahydrofuran; dichloromethane;
DOI:10.1016/S0968-0896(00)00292-3

Reference yield:

: 3-benzylamino-but-2-enoic acid methyl ester

: 60011-55-4
3-(cyanomethyl)-2-methyl-1-(phenylmethyl)-5-methoxyindole

Guidance literature:: Multi-step reaction with 4 steps

1: 0.87 g / nitromethane / 66 h / 20 °C

2: 57.2 percent / tetrabutylammonium bromide; aq. NaOH / 0.5 h / Heating

3: 63 percent / LiAlH₄ / tetrahydrofuran / 17 h / 20 °C

4: 72.5 percent / BF₃*OEt₂ / CH₂Cl₂ / 1 h / 0 °C

With sodium hydroxide; lithium aluminium tetrahydride; boron trifluoride diethyl etherate; tetrabutylammomium bromide; In tetrahydrofuran; nitromethane; dichloromethane;
DOI:10.1016/S0968-0896(00)00292-3