4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE

Base Information

• Chemical Name: 4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE
• CAS No.: 40394-87-4
• Molecular Formula: C10H8ClNO
• Molecular Weight: 193.633
• Hs Code.: 2926909090
• Mol file: 40394-87-4.mol

Synonyms:4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE;4-(4-CHLOROPHENYL)-4-OXOBUTYRONITRILE;SALOR-INT L481963-1EA

Chemical Property of 4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE

Chemical Property:

• Vapor Pressure: 7.64E-06mmHg at 25°C
• Boiling Point: 375.7°C at 760 mmHg
• Flash Point: 181°C
• PSA: 40.86000
• Density: 1.215g/cm³
• LogP: 2.82648

Purity/Quality:

99%min ^*data from raw suppliers

4-(4-chlorophenyl)-4-oxobutanenitrile ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE

There total 29 articles about 4-(4-CHLOROPHENYL)-4-OXOBUTANENITRILE 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: 94.0%

4-chlorobenzaldehyde (104-88-1) + acrylonitrile (107-13-1,25014-41-9) → 4-(4-chloro-phenyl)-4-oxo-butyronitrile (40394-87-4)

Guidance literature:

With Cu doped graphitic carbon nitride; In water; at 20 ℃; for 4h; Reagent/catalyst; Solvent; Catalytic behavior; Sealed tube; Irradiation; Green chemistry;

DOI:10.1002/ejoc.202000945

Reference yield: 87.0%

α-(2-cyanoethyl)-4,4'-dichlorobenzoin (174869-03-5) → 4-(4-chloro-phenyl)-4-oxo-butyronitrile (40394-87-4) + 4-chlorobenzaldehyde (104-88-1)

Guidance literature:

With potassium cyanide; In N,N-dimethyl-formamide; at 80 ℃; for 1h;

DOI:10.1248/cpb.44.252

Reference yield: 87.0%

α-(2-cyanoethyl)-4,4'-dichlorobenzoin (174869-03-5) → 4-(4-chloro-phenyl)-4-oxo-butyronitrile (40394-87-4)

Guidance literature:

With potassium cyanide; In N,N-dimethyl-formamide; at 80 ℃; for 1h;

DOI:10.1248/cpb.46.6

upstream raw materials:

Bis-<β-(p-chlorbenzoyl)-ethyl>-sulfon

α-(2-cyanoethyl)-4,4'-dichlorobenzoin

1-(4-chlorophenyl)-3-dimethylamino-1-propanone

water

Downstream raw materials:

5-(4-chlorophenyl)-3,4-dihydro-2H-pyrrole

4-(4-chlorophenyl)-4-oxobutanoic acid

(R)-4-(4-chlorophenyl)-4-hydroxybutanenitrile

(S)-4-(4-chlorophenyl)-4-hydroxybutanenitrile

Refernces

• 1、 Phungpis, Baramee,Hahnvajanawong, Viwat. "1-butyl-3-methylimidazolium bromide as a solvent and precatalyst for stetter reaction". . p. 2028 - 2032. Retrieved 2020/09/02.
• 2、 Bhardiya, Smita R.,Rai, Ankita,Rai, Vijai K.,Sheshma, Harendra,Singh, Manorama,Verma, Fooleswar. "Facile Synthesis of γ-Ketonitriles in Water via C(sp2)–H Activation of Aromatic Aldehydes over Cu?g-C3N4 under Visible-Light". . p. 5841 - 5846. Retrieved 2020/09/21.