1H-Indole-1-propanenitrile, 2-phenyl-

Base Information

• Chemical Name: 1H-Indole-1-propanenitrile, 2-phenyl-
• CAS No.: 19931-87-4
• Molecular Formula: C17H14 N2
• Molecular Weight: 246.312
• European Community (EC) Number: 243-430-6
• DSSTox Substance ID: DTXSID9066546
• Nikkaji Number: J280.407G
• Wikidata: Q81993123
• Mol file: 19931-87-4.mol

Synonyms:1H-Indole-1-propanenitrile, 2-phenyl-;19931-87-4;1-(2-Cyanoethyl)-2-phenylindole;2-Phenyl-1H-indole-1-propiononitrile;3-(2-phenylindol-1-yl)propanenitrile;3-(2-phenyl-1H-indol-1-yl)propanenitrile;EINECS 243-430-6;Oprea1_610278;Oprea1_781508;DTXSID9066546;SCHEMBL10993985;STK927740;2-Phenyl-1H-indole-1-propanenitrile;AKOS000631338;NCGC00327387-01;EU-0035282;AB01228232-03;AG-690/11385293;SR-01000403896;SR-01000403896-1;5603-30-5

Chemical Property of 1H-Indole-1-propanenitrile, 2-phenyl-

Chemical Property:

• Vapor Pressure: 2.08E-09mmHg at 25°C
• Melting Point: 88.5-89 °C
• Boiling Point: 481°Cat760mmHg
• Flash Point: 244.7°C
• PSA: 28.72000
• Density: 1.07g/cm³
• LogP: 4.22198
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 246.115698455
• Heavy Atom Count: 19
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Phenyl-1H-indol-1-yl)propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CCC#N

Technology Process of 1H-Indole-1-propanenitrile, 2-phenyl-

There total 2 articles about 1H-Indole-1-propanenitrile, 2-phenyl- 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:

2-phenyl-indole (948-65-2) + acrylonitrile (107-13-1,25014-41-9) → 1-(2-cyanoethyl)-2-phenylindole (19931-87-4)

Guidance literature:

With trimethylphenylammonium ethoxide; benzene;

Reference yield:

→ 1-(2-cyanoethyl)-2-phenylindole (19931-87-4)

Guidance literature:

2-Phenylindol, Acrylnitril;

Reference yield: 39.0%

3,4-Dichlorocyclobut-3-ene-1,2-dione (2892-63-9) + 1-(2-cyanoethyl)-2-phenylindole (19931-87-4) → 3-[3-(2-Chloro-3,4-dioxo-cyclobut-1-enyl)-2-phenyl-indol-1-yl]-propionitrile

Guidance literature:

In benzene; for 2h; Ambient temperature;

DOI:10.1039/p19960000495

upstream raw materials:

2-phenyl-indole

acrylonitrile

Downstream raw materials:

3-(3-formyl-2-phenyl-indol-1-yl)-propionitrile

3-(2-phenyl-1H-indol-1-yl)propanoic acid