4-Chloro-2-phenylbutyronitrile

Base Information

• Chemical Name: 4-Chloro-2-phenylbutyronitrile
• CAS No.: 93273-13-3
• Molecular Formula: C10H10 Cl N
• Molecular Weight: 179.649
• Hs Code.: 2926909090
• Mol file: 93273-13-3.mol

Synonyms:4-Chloro-2-phenylbutyronitrile

Chemical Property of 4-Chloro-2-phenylbutyronitrile

Chemical Property:

• Boiling Point: 160-180 °C(Press: 14 Torr)
• PSA: 23.79000
• Density: 1.117±0.06 g/cm3(Predicted)
• LogP: 2.92268
• Storage Temp.: 2-8°C

Purity/Quality:

≥95% ^*data from raw suppliers

4-Chloro-2-phenylbutanenitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Chloro-2-phenylbutyronitrile

There total 4 articles about 4-Chloro-2-phenylbutyronitrile 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: 76.0%

ethyl 4-chloro-2-cyano-2-phenylbutanoate (52370-86-2) → 4-chloro-2-phenylbutyronitrile (93273-13-3)

Guidance literature:

With potassium carbonate; In methanol; water; at 0 ℃; for 3.5h;

Reference yield:

pyridine (110-86-1) → 4-chloro-2-phenylbutyronitrile (93273-13-3)

Guidance literature:

With thionyl chloride; Erhitzen des mit Wasser versetzten Reaktionsgemisches;

DOI:10.1021/ja01344a050

Reference yield:

ethyl phenylcyanoacetate (4553-07-5) → 4-chloro-2-phenylbutyronitrile (93273-13-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate / N,N-dimethyl-formamide / 2.5 h / 20 °C / Cooling with ice

1.2: 16 h / 20 °C

2.1: potassium carbonate / methanol; water / 3.5 h / 0 °C

With potassium tert-butylate; potassium carbonate; In methanol; water; N,N-dimethyl-formamide;

upstream raw materials:

ethyl 4-chloro-2-cyano-2-phenylbutanoate

pyridine

ethyl phenylcyanoacetate

Downstream raw materials:

4-iodo-2-phenylbutyronitrile

4-chloro-2-phenylbutanoic acid

4-dimethylamino-2-phenyl-butyronitrile

ethyl 2-phenyl-4-(piperidin-1-yl)butanoate

Refernces

• 1、 Cheng,Lu,Lee,Tam. "Synthesis of (1',2'-trans)-3-phenyl-1-[2'-(N-pyrrolidinyl)cyclohexyl]pyrrolid-2- ones as κ-selective opiates". . p. 758 - 762. Retrieved 2007/10/02.