Ethanone, 2-chloro-1-(3-fluorophenyl)- (9CI)

Base Information

• Chemical Name: Ethanone, 2-chloro-1-(3-fluorophenyl)- (9CI)
• CAS No.: 53688-18-9
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.586
• Hs Code.: 2914700090
• Mol file: 53688-18-9.mol

Synonyms:m-Fluorophenacylchloride;a-Chloro-3'-fluoroacetophenone;

Chemical Property of Ethanone, 2-chloro-1-(3-fluorophenyl)- (9CI)

Chemical Property:

• Boiling Point: 240.27 °C at 760 mmHg
• Flash Point: 99.112 °C
• PSA: 17.07000
• Density: 1.264 g/cm³
• LogP: 2.24720
• Storage Temp.: 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-5''-fluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Fluorophenacyl Chloride is 3-fluoro substituted α-chloro acetophenone used as a synthetic intermediate for neurologically active pharmaceutical compounds. 2-Chloro-5''-fluoroacetophenone

Technology Process of Ethanone, 2-chloro-1-(3-fluorophenyl)- (9CI)

There total 3 articles about Ethanone, 2-chloro-1-(3-fluorophenyl)- (9CI) 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: 70.0%

3-fluorostyrene (350-51-6) → 2-chloro-1-(3-fluorophenyl)ethanone (53688-18-9)

Guidance literature:

With magnesium(II) chloride hexahydrate; oxygen; lithium perchlorate; manganese(ll) chloride; In dichloromethane; acetone; at 40 ℃; for 40h; Electrochemical reaction;

DOI:10.1039/c9cc06746a

Reference yield: 29.0%

1-(3-fluorophenyl)ethanone (455-36-7) → 2-chloro-1-(3-fluorophenyl)ethanone (53688-18-9)

Guidance literature:

With N-chloro-succinimide; toluene-4-sulfonic acid; at 80 ℃;

DOI:10.1039/c2cc32391e

Reference yield:

2-bromo-1-(3-fluorophenyl)ethanone (53631-18-8) → 2-chloro-1-(3-fluorophenyl)ethanone (53688-18-9)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; benzenesulfonyl chloride; In water; at 20 ℃; for 2.5h; Solvent; Green chemistry;

DOI:10.1039/c6ra00433d

upstream raw materials:

1-(3-fluorophenyl)ethanone

2-bromo-1-(3-fluorophenyl)ethanone

3-fluorostyrene

Downstream raw materials:

6-chloro-2-(3-fluoro-phenyl)-3H-pyrido[2,3-b][1,4]thiazine

1-(3-fluorophenyl)-4-penten-1-one

1-(3-fluorophenyl)ethanone

C₁₇H₁₈FNO

Refernces

• 1、 Tian, Siyu,Lv, Shide,Jia, Xiaofei,Ma, Li,Li, Baoying,Zhang, Guofeng,Gao, Wei,Wei, Yingqin,Chen, Jianbin. "CV-driven Optimization: Cobalt-Catalyzed Electrochemical Expedient Oxychlorination of Alkenes via ORR". supporting information. p. 5626 - 5633. Retrieved 2019/11/22.
• 2、 Zhang, Xixi,Liu, Lei,Li, Chunbao. "High-yielding aqueous synthesis of chloroacetophenones and aroyl chlorohydrins". . p. 25339 - 25345. Retrieved 2016/03/22.