4-OXO-4-PHENYLBUTANENITRILE, 97

Base Information

• Chemical Name: 4-OXO-4-PHENYLBUTANENITRILE, 97
• CAS No.: 5343-98-6
• Molecular Formula: C10H9 N O
• Molecular Weight: 159.188
• Hs Code.: 2926909090
• Mol file: 5343-98-6.mol

Synonyms:Propionitrile,3-benzoyl- (6CI,8CI); 2-Cyanoethyl phenyl ketone; 3-Cyano-1-phenylpropan-1-one;4-Oxo-4-phenylbutanenitrile; NSC 520; Propanenitrile, 3-benzoyl-; b-Benzoylpropionitrile; b-Cyanopropiophenone

Chemical Property of 4-OXO-4-PHENYLBUTANENITRILE, 97

Chemical Property:

• Vapor Pressure: 0.000229mmHg at 25°C
• Melting Point: 74-78 °C
• Boiling Point: 325.5°Cat760mmHg
• Flash Point: 150.7°C
• PSA: 40.86000
• Density: 1.08g/cm³
• LogP: 2.17308
• Solubility.: soluble in Methanol

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Oxo-4-phenylbutanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-OXO-4-PHENYLBUTANENITRILE, 97

There total 83 articles about 4-OXO-4-PHENYLBUTANENITRILE, 97 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: 96.0%

C23H18N2O5 → 4-oxo-4-phenylbutanenitrile (5343-98-6) + biphenyl-4-carboxylic acid (92-92-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; Heating;

DOI:10.1016/0040-4039(96)01779-0

Reference yield: 94.0%

α-(2-cyanoethyl)benzoin (174869-02-4) → 4-oxo-4-phenylbutanenitrile (5343-98-6) + benzaldehyde (100-52-7)

Guidance literature:

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

DOI:10.1248/cpb.44.252

Reference yield: 93.0%

zinc(II) cyanide (557-21-1) + 3-chloropropiophenone (936-59-4) → 4-oxo-4-phenylbutanenitrile (5343-98-6)

Guidance literature:

With tetrabutyl-ammonium chloride; In acetonitrile; at 80 ℃; for 4h; Temperature; Time; Inert atmosphere; Glovebox;

upstream raw materials:

sodium cyanide

Phenyl vinyl ketone

3-chloropropiophenone

Bis(benzoyl-2-ethyl)-sulfon

Downstream raw materials:

2-cyano-4-oxo-4-phenyl-butyric acid

(+/-)-4-hydroxy-4-phenylbutanenitrile

4-chloro-4-phenylbutyronitrile

phenacylacetophenone

Refernces

• 1、 Hu, Deqing,Jiang, Xuefeng. "Stepwise benzylic oxygenation via uranyl-photocatalysis". supporting information. p. 124 - 129. Retrieved 2022/01/19.
• 2、 Balletti, Matteo,De Pedro Beato, Eduardo,Mazzarella, Daniele,Melchiorre, Paolo. "Photochemical generation of acyl and carbamoyl radicals using a nucleophilic organic catalyst: Applications and mechanism thereof". . p. 6312 - 6324. Retrieved 2020/08/24.