3-Imino-3-phenylpropionitrile

Base Information

• Chemical Name: 3-Imino-3-phenylpropionitrile
• CAS No.: 16187-90-9
• Molecular Formula: C9H8 N2
• Molecular Weight: 144.176
• Hs Code.: 2926909090
• European Community (EC) Number: 240-322-0
• DSSTox Substance ID: DTXSID60880885
• Nikkaji Number: J126.349H
• Mol file: 16187-90-9.mol

Synonyms:3-Imino-3-phenylpropionitrile;16187-90-9;3-Imino-3-phenylpropanenitrile;Benzenepropanenitrile, beta-imino-;Benzenepropanenitrile, .beta.-imino-;Acetonitrile, benzimidoyl-;EINECS 240-322-0;beta-Iminobenzenepropanenitrile;SCHEMBL10824611;DTXSID60880885;3-Imino-3-phenylpropanenitrile #;.beta.-Imino-.beta.-phenylpropionitrile;.beta.-Imino-.beta.-phenylpropiononitrile

Chemical Property of 3-Imino-3-phenylpropionitrile

Chemical Property:

• Vapor Pressure: 0.0016mmHg at 25°C
• Boiling Point: 294.7°Cat760mmHg
• Flash Point: 132°C
• PSA: 47.64000
• Density: 1.01g/cm³
• LogP: 2.06788
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 144.068748264
• Heavy Atom Count: 11
• Complexity: 181

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)C(=N)CC#N

Technology Process of 3-Imino-3-phenylpropionitrile

There total 2 articles about 3-Imino-3-phenylpropionitrile 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:

benzonitrile (100-47-0) + acetonitrile (75-05-8,26809-02-9) → β-imino-β-phenylpropionitrile (16187-90-9)

Guidance literature:

DOI:10.1016/j.bmcl.2007.07.038

Reference yield:

→ β-imino-β-phenylpropionitrile (16187-90-9)

Guidance literature:

Ph-CN, Me-CN;

Reference yield: 90.0%

Trifluoromethylsulfenyl chloride (421-17-0) + β-imino-β-phenylpropionitrile (16187-90-9) → β-amino-α-trifluoromethylthio-cinnamic acid nitrile

Guidance literature:

In chloroform; Heating; 0 deg C, 30 min, room temperature, 20 h;

DOI:10.1016/S0022-1139(00)85061-7

upstream raw materials:

benzonitrile

acetonitrile

Downstream raw materials:

4aH-benzo[3,4]cyclobuta[1,2-d][1,3]thiazine-2,4-dithione

2-Cyano-3-imino-3-phenyldithiobuttersaeure

3-(4-chlorophenyl)-4-cyano-5-phenyl-1,2-oxazole

(Z)-2-[3-(4-chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-1-phenyl-vinylamine

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