1H-Indole-1-acetonitrile

Base Information

Chemical Name:1H-Indole-1-acetonitrile
CAS No.:4414-73-7
Molecular Formula:C₁₀H₈N₂
Molecular Weight:156.187
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90481521
Nikkaji Number:J2.352.280B
Wikidata:Q82316980
Mol file:4414-73-7.mol

Synonyms:1H-Indole-1-acetonitrile;4414-73-7;2-(1H-Indol-1-yl)acetonitrile;2-indol-1-ylacetonitrile;1-cyanomethyl indole;1-(cyanomethyl)indole;indol-1-yl-acetonitrile;SCHEMBL4705937;1H-Indole-1-acetonitrile(9ci);DTXSID90481521;HNOQGHCFHGIUHC-UHFFFAOYSA-N;2-(1H-indol-1-yl)-acetonitrile;AKOS013122627

Suppliers and Price of 1H-Indole-1-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

AccelPharmtech
1H-Indole-1-acetonitrile 97.00%
25G
$ 3120.00

AccelPharmtech
1H-Indole-1-acetonitrile 97.00%
5G
$ 1700.00

AccelPharmtech
1H-Indole-1-acetonitrile 97.00%
1G
$ 1530.00

Total 3 raw suppliers

Chemical Property of 1H-Indole-1-acetonitrile

Chemical Property:

PSA：28.72000
LogP:2.16488
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:156.068748264
Heavy Atom Count:12
Complexity:203

Purity/Quality:: 1H-Indole-1-acetonitrile 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CN2CC#N

Technology Process of 1H-Indole-1-acetonitrile

There total 3 articles about 1H-Indole-1-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: 64.0%

: 120-72-9
indole

: 590-17-0
cyanomethyl bromide

: 4414-73-7
1-Indolylacetonitrile

Guidance literature:: indole; With sodium hydride; In acetonitrile; paraffin oil; at -5 ℃; for 0.5h; Inert atmosphere;

cyanomethyl bromide; In acetonitrile; paraffin oil; at 0 - 20 ℃; for 24h;

Reference yield:

: 120-72-9
indole

: 107-14-2
chloroacetonitrile

: 4414-73-7
1-Indolylacetonitrile

Guidance literature:: With sodium hydroxide; tetrabutylammomium bromide; calcium carbonate; Yield given. Multistep reaction; 1.) water, benzene, reflux, 30 min, 2.) water, benzene, reflux, 2 h;
DOI:10.1007/BF01373544