2-(4-Chlorophenyl)acetyl cyanide

Base Information

• Chemical Name: 2-(4-Chlorophenyl)acetyl cyanide
• CAS No.: 924633-52-3
• Molecular Formula: C9H6ClNO
• Molecular Weight: 179.60304
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20562832
• Wikidata: Q82447117
• Mol file: 924633-52-3.mol

Synonyms:2-(4-Chlorophenyl)acetyl cyanide;924633-52-3;4-CHLORO-ALPHA-OXO-BENZENEPROPANENITRILE;SCHEMBL10445460;(4-Chlorophenyl)ethanoyl cyanide;2-(4-Chlorophenyl)acetylcyanide;DTXSID20562832;CS-D1280;A860083

Chemical Property of 2-(4-Chlorophenyl)acetyl cyanide

Chemical Property:

• PSA: 40.86000
• LogP: 1.97518
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 179.0137915
• Heavy Atom Count: 12
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Chlorophenyl)acetylcyanide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)C#N)Cl

Technology Process of 2-(4-Chlorophenyl)acetyl cyanide

There total 2 articles about 2-(4-Chlorophenyl)acetyl cyanide 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: 55.0%

trimethylsilyl cyanide (7677-24-9) + 4-chlorophenacetyl chloride (25026-34-0) → α-oxo-(4-chlorobenzene)propanenitrile (924633-52-3)

Guidance literature:

at 120 ℃; for 4h;

DOI:10.1021/jm060631p

Reference yield:

4-chlorophenylacetic Acid (1878-66-6) → α-oxo-(4-chlorobenzene)propanenitrile (924633-52-3)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl chloride; DMF / tetrahydrofuran / 1 h

2: 55 percent / 4 h / 120 °C

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran;

DOI:10.1021/jm060631p

Reference yield: 90.0%

α-oxo-(4-chlorobenzene)propanenitrile (924633-52-3) + acetic anhydride (108-24-7) → N-[2-oxo-3-(4-chlorobenzene)propyl]acetamide (924633-53-4)

Guidance literature:

With acetic acid; zinc; at 25 ℃; for 1h;

DOI:10.1021/jm060631p

upstream raw materials:

trimethylsilyl cyanide

4-chlorophenacetyl chloride

4-chlorophenylacetic Acid

Downstream raw materials:

N-[2-oxo-3-(4-chlorobenzene)propyl]acetamide

3-amino-2-(4-chloro-benzyl)-7,8,9,10-tetrahydro-benzo[h]quinoline-4-carboxylic acid

3-acetylamino-2-(4-chloro-benzyl)-7,8,9,10-tetrahydro-benzo[h]quinoline-4-carboxylic acid

Refernces