3-(3-oxo-3-phenylprop-1-en-1-yl)benzonitrile

Base Information

• Chemical Name: 3-(3-oxo-3-phenylprop-1-en-1-yl)benzonitrile
• CAS No.: 62584-53-6
• Molecular Formula: C16H11 N O
• Molecular Weight: 233.269
• Mol file: 62584-53-6.mol

Synonyms:Benzonitrile,3-(3-oxo-3-phenyl-1-propenyl)- (9CI); NSC 306851; NSC 636931

Chemical Property of 3-(3-oxo-3-phenylprop-1-en-1-yl)benzonitrile

Chemical Property:

• Vapor Pressure: 7.58E-07mmHg at 25°C
• Boiling Point: 407.4°C at 760 mmHg
• Flash Point: 200.2°C
• Density: 1.16g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(3-oxo-3-phenylprop-1-en-1-yl)benzonitrile

There total 2 articles about 3-(3-oxo-3-phenylprop-1-en-1-yl)benzonitrile 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: 77.0%

3-Cyanobenzaldehyde (24964-64-5) + acetophenone (98-86-2) → (m-cyanobenzylidene)acetophenone (62584-53-6)

Guidance literature:

With sodium hydroxide; In methanol; water; at -10 ℃; for 12h;

DOI:10.1021/jo00175a012

Reference yield:

→ (m-cyanobenzylidene)acetophenone (62584-53-6)

Guidance literature:

Reference yield: 75.0%

methanol (67-56-1) + (m-cyanobenzylidene)acetophenone (62584-53-6) + α-bromoacetophenone (70-11-1) → methyl 1,3-dibenzoyl-2-(4-cyanophenyl)-7-indolizinecarboxylate

Guidance literature:

α-bromoacetophenone; PEG-bound isonicotinic acid; In dichloromethane; at 20 ℃;

(m-cyanobenzylidene)acetophenone; With triethylamine; 2,3,4,5-tetraphenylcyclopenta-2,4-dienone; In N,N-dimethyl-formamide; at 90 ℃; for 4h;

methanol; With potassium cyanide; at 20 ℃;

DOI:10.1002/jhet.5570430340

upstream raw materials:

3-Cyanobenzaldehyde

acetophenone

Downstream raw materials:

3-[3-Oxo-3-phenyl-1-(phenyl-bis-phenylsulfanyl-methyl)-propyl]-benzonitrile

3-(3-Oxo-3-phenyl-propyl)-benzonitrile

3-(m-cyanophenyl)-2,5-diphenylpyrrole

2-(m-cyanophenyl)-1,4-butanedione

Refernces

• 1、 -. "NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER". Page/Page column 27. . Retrieved 2013/02/28.
• 2、 Wagner,Voigt. "Synthesis of 1 aryl 3 [amidinophenyl] propanones (1) and other derivatives with a carbonyl group in γ position to the amidinophenyl radical". . p. 528 - 532. Retrieved 2007/10/06.