1H-Indole-1-propiononitrile

Base Information

Chemical Name:1H-Indole-1-propiononitrile
CAS No.:4414-79-3
Molecular Formula:C11H10 N2
Molecular Weight:170.214
Hs Code.:2933990090
European Community (EC) Number:224-573-3
NSC Number:17813
UNII:D9IGY1OIC1
DSSTox Substance ID:DTXSID20196055
Nikkaji Number:J205.794H
Wikidata:Q83069148
Mol file:4414-79-3.mol

Synonyms:1H-Indole-1-propanenitrile;1H-Indole-1-propiononitrile;4414-79-3;3-(1H-indol-1-yl)propanenitrile;Indole-1-propionitrile;D9IGY1OIC1;EINECS 224-573-3;NSC-17813;3-(1-indolyl)propanonitrile;NSC17813;1-(cyanoethyl)indole;UNII-D9IGY1OIC1;1h-indole-1-propanonitrile;1-INDOLEPROPIONITRILE;SCHEMBL3471412;DTXSID20196055;HMS1783P01;NSC 17813;1-(2-CYANOETHYL)-1H-INDOLE;AKOS001058174;Z56968850

Suppliers and Price of 1H-Indole-1-propiononitrile

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

American Custom Chemicals Corporation
1-(2-CYANOETHYL)INDOLE 95.00%
5MG
$ 500.09

Total 8 raw suppliers

Chemical Property of 1H-Indole-1-propiononitrile

Chemical Property:

Vapor Pressure:1.88E-05mmHg at 25°C
Boiling Point:362.9°Cat760mmHg
Flash Point:173.2°C
PSA：28.72000
Density:1.06g/cm³
LogP:2.55498
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:170.084398327
Heavy Atom Count:13
Complexity:215

Purity/Quality:

99% ^*data from raw suppliers

1-(2-CYANOETHYL)INDOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CN2CCC#N

Technology Process of 1H-Indole-1-propiononitrile

There total 4 articles about 1H-Indole-1-propiononitrile 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: 100.0%

: 120-72-9
indole

: 107-13-1,25014-41-9
acrylonitrile

: 4414-79-3
3-(1H-indol-1-yl)propanenitrile

Guidance literature:: With N-benzyl-trimethylammonium hydroxide; In 1,4-dioxane; at 0 - 20 ℃; for 20h;

Reference yield: 94.0%

: 120-72-9
indole

: 2417-90-5
bromopropionitrile

: 4414-79-3
3-(1H-indol-1-yl)propanenitrile

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

bromopropionitrile; In acetonitrile; mineral oil; at -5 - 20 ℃; for 24h;
DOI:10.1038/s41388-017-0076-0

Reference yield: 94.0%

: 4414-79-3
3-(1H-indol-1-yl)propanenitrile

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

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