3-(3-Chlorophenyl)propanoyl chloride

Base Information

• Chemical Name: 3-(3-Chlorophenyl)propanoyl chloride
• CAS No.: 40478-50-0
• Molecular Formula: C9H8Cl2O
• Molecular Weight: 203.068
• DSSTox Substance ID: DTXSID801300003
• Mol file: 40478-50-0.mol

Synonyms:3-(3-chlorophenyl)propanoyl chloride;40478-50-0;3-chlorophenylpropionyl chloride;SCHEMBL3252805;3-Chlorobenzenepropanoyl chloride;CYABLYFBMFFNPD-UHFFFAOYSA-N;DTXSID801300003

Chemical Property of 3-(3-Chlorophenyl)propanoyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 3.03800
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 201.9952203
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

3-(3-Chlorophenyl)propanoylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CCC(=O)Cl

Technology Process of 3-(3-Chlorophenyl)propanoyl chloride

There total 3 articles about 3-(3-Chlorophenyl)propanoyl chloride 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:

3-chlorohydrocinnamic acid (21640-48-2) → 3-(3-chlorophenyl)propionyl chloride (40478-50-0)

Guidance literature:

With thionyl chloride;

DOI:10.1002/recl.19931120212

Reference yield:

1-Chloro-3-chloromethyl-benzene (620-20-2,130468-19-8) → 3-(3-chlorophenyl)propionyl chloride (40478-50-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium ethanolate / tetrahydrofuran / 2 h / 50 - 60 °C

1.2: 3 h / 55 - 60 °C

2.1: sodium hydroxide / 3 h / 60 - 65 °C

3.1: thionyl chloride / dichloromethane / 1 h / 35 - 40 °C

With thionyl chloride; sodium ethanolate; sodium hydroxide; In tetrahydrofuran; dichloromethane;

Reference yield:

ethyl 3-(3-chlorophenyl)propanoate (7116-35-0) → 3-(3-chlorophenyl)propionyl chloride (40478-50-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / 3 h / 60 - 65 °C

2: thionyl chloride / dichloromethane / 1 h / 35 - 40 °C

With thionyl chloride; sodium hydroxide; In dichloromethane;

upstream raw materials:

3-chlorohydrocinnamic acid

1-Chloro-3-chloromethyl-benzene

ethyl 3-(3-chlorophenyl)propanoate

Downstream raw materials:

3-(3-chlorophenethyl)-1H-isochromen-1-one

N-(4,4-diethoxybutyl)-3-(3-chloro-phenyl)propionamide

[3-(3-chloro-phenyl)-propyl]-methyl-amine

methyl-(3-phenyl-propyl)-amine

Refernces

• 1、 Wu, Mingyue,Han, Zhaobin,Li, Kaizhi,Wu, Ji'En,Ding, Kuiling,Lu, Yixin. "Cyclohexyl-Fused, Spirobiindane-Derived, Phosphine-Catalyzed Synthesis of Tricyclic ?3-Lactams and Kinetic Resolution of ?3-Substituted Allenoates". supporting information. p. 16362 - 16373. Retrieved 2019/10/16.
• 2、 -. "Preparation method for indanone compound". Paragraph 0107; 0111. . Retrieved 2018/08/28.