1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-

Base Information

• Chemical Name: 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-
• CAS No.: 41450-77-5
• Molecular Formula: C18H14N2O
• Molecular Weight: 274.322
• Hs Code.: 2933990090
• European Community (EC) Number: 255-369-2
• DSSTox Substance ID: DTXSID0068313
• Nikkaji Number: J320.072H
• Wikidata: Q81995030
• Mol file: 41450-77-5.mol

Synonyms:41450-77-5;1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-;EINECS 255-369-2;3-Formyl-2-phenyl-1H-indole-1-propiononitrile;1-(2-Cyanoethyl)-2-phenylindole-3-carboxyaldehyde;SCHEMBL9187427;DTXSID0068313

Chemical Property of 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-

Chemical Property:

• Vapor Pressure: 7.35E-12mmHg at 25°C
• Boiling Point: 543.2°Cat760mmHg
• Flash Point: 282.3°C
• PSA: 45.79000
• Density: 1.13g/cm³
• LogP: 4.03448
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 274.110613074
• Heavy Atom Count: 21
• Complexity: 407

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2CCC#N)C=O

Technology Process of 1H-Indole-1-propanenitrile, 3-formyl-2-phenyl-

There total 4 articles about 1H-Indole-1-propanenitrile, 3-formyl-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) → 3-(3-formyl-2-phenyl-indol-1-yl)-propionitrile (41450-77-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; KOH-solution; water

2: dioxane; benzyl-trimethyl-ammonium hydroxide; water

With 1,4-dioxane; potassium hydroxide; ethanol; water; N-benzyl-trimethylammonium hydroxide;

DOI:10.1021/jo01179a016

Reference yield:

2-phenyl-1H-indol-3-carboxaldehyde (25365-71-3) + acrylonitrile (107-13-1,25014-41-9) → 3-(3-formyl-2-phenyl-indol-1-yl)-propionitrile (41450-77-5)

Guidance literature:

With 1,4-dioxane; water; N-benzyl-trimethylammonium hydroxide;

DOI:10.1021/jo01179a016

Reference yield:

1-(2-cyanoethyl)-2-phenylindole (19931-87-4) + N-methyl-N-phenylformamide (93-61-8) → 3-(3-formyl-2-phenyl-indol-1-yl)-propionitrile (41450-77-5)

Guidance literature:

With 1,2-dichloro-benzene; trichlorophosphate; anschliessendes Behandeln mit wss.Natriumacetat-Loesung;

DOI:10.1021/jo01179a016

upstream raw materials:

2-phenyl-1H-indol-3-carboxaldehyde

acrylonitrile

1-(2-cyanoethyl)-2-phenylindole

N-methyl-N-phenylformamide