4-(2-CHLOROPHENYL)-4-OXOBUTYRONITRILE

Base Information

• Chemical Name: 4-(2-CHLOROPHENYL)-4-OXOBUTYRONITRILE
• CAS No.: 135595-17-4
• Molecular Formula: C₁₀H₈ClNO
• Molecular Weight: 193.633
• Hs Code.: 2926909090
• Mol file: 135595-17-4.mol

Synonyms:4-(2-CHLOROPHENYL)-4-OXOBUTYRONITRILE

Chemical Property of 4-(2-CHLOROPHENYL)-4-OXOBUTYRONITRILE

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Boiling Point: 331.3°C at 760 mmHg
• Flash Point: 154.2°C
• PSA: 40.86000
• Density: 1.215g/cm³
• LogP: 2.82648

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Chlorophenyl)-4-oxobutyronitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2-CHLOROPHENYL)-4-OXOBUTYRONITRILE

There total 4 articles about 4-(2-CHLOROPHENYL)-4-OXOBUTYRONITRILE 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: 81.0%

2-chloro-benzaldehyde (89-98-5) + acrylonitrile (107-13-1,25014-41-9) → 4-(2-chloro-phenyl)-4-oxo-butyronitrile (135595-17-4)

Guidance literature:

With Cu doped graphitic carbon nitride; In water; at 20 ℃; for 10h; Sealed tube; Irradiation; Green chemistry;

DOI:10.1002/ejoc.202000945

Reference yield: 63.0%

o-chlorobenzoyl chloride (609-65-4) + acrylonitrile (107-13-1,25014-41-9) → 4-(2-chloro-phenyl)-4-oxo-butyronitrile (135595-17-4)

Guidance literature:

With samarium; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield: 61.0%

3-(2-chlorophenyl)prop-2-ynoic acid (24654-08-8) + acetonitrile (75-05-8,26809-02-9) → 4-(2-chloro-phenyl)-4-oxo-butyronitrile (135595-17-4)

Guidance literature:

With water; copper diacetate; manganese(III) triacetate dihydrate; sodium hydrogencarbonate; dibenzoyl peroxide; at 90 ℃; for 6h; Sealed tube;

DOI:10.1021/acs.orglett.9b00520

upstream raw materials:

o-chlorobenzoyl chloride

acrylonitrile

2-chlorostyrene

acetonitrile

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