2-(2-Fluorophenyl)acetyl chloride

Base Information

• Chemical Name: 2-(2-Fluorophenyl)acetyl chloride
• CAS No.: 451-81-0
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.586
• Hs Code.: 2916399090
• European Community (EC) Number: 676-332-0
• DSSTox Substance ID: DTXSID00554078
• Nikkaji Number: J2.181.482B
• Wikidata: Q72475662
• Mol file: 451-81-0.mol

Synonyms:451-81-0;2-(2-fluorophenyl)acetyl chloride;2-FLUOROPHENYLACETYL CHLORIDE;o-fluorophenylacetyl chloride;(2-fluorophenyl)acetyl chloride;Benzeneacetyl chloride, 2-fluoro-;2-Fluorophenylacetylchloride;2-(2-fluorophenyl)ethanoyl chloride;2-fluorobenzenacetyl chloride;2-fluorobenzeneacetyl chloride;2-fluorophenyl-acetyl chloride;SCHEMBL1124265;2-(2-fluorophenyl)acetylchloride;DTXSID00554078;KUMKNGTWQNSAQW-UHFFFAOYSA-N;2-(2'-Fluorophenyl)acetylchloride;2-(2'-Fluorophenyl)acetyl chloride;MFCD03840709;AKOS009216737;AB16515;FS-4117;EN300-41849;2-(2'-fluorophenyl)-acetyl-chloride, AldrichCPR;A826735

Chemical Property of 2-(2-Fluorophenyl)acetyl chloride

Chemical Property:

• Vapor Pressure: 0.115mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 220.096 ºC at 760 mmHg
• Flash Point: 86.911 ºC
• PSA: 17.07000
• Density: 1.278g/cm³
• LogP: 2.13360
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-fluorophenyl)acetylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(=O)Cl)F

Technology Process of 2-(2-Fluorophenyl)acetyl chloride

There total 2 articles about 2-(2-Fluorophenyl)acetyl 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:

(2-fluorophenyl)acetic acid (451-82-1) → 2-(2-fluorophenyl)acetyl chloride (451-81-0)

Guidance literature:

With thionyl chloride;

DOI:10.1021/jo01359a005 DOI:10.1002/ardp.19883210506

Reference yield:

(2-fluorophenyl)acetic acid (451-82-1) → 8-fluoro-3,4-dihydronaphthalen-2(1H)-one (127169-82-8) + 2-(2-fluorophenyl)acetyl chloride (451-81-0)

Guidance literature:

In thionyl chloride;

Reference yield: 93.0%

2-amino-3-(((4,6-difluorobenzo[d]thiazol-2-yl)methyl)thio)-N-(acridin-9-yl)propanamide + 2-(2-fluorophenyl)acetyl chloride (451-81-0) → 3-(((4,6-difluorobenzo[d]thiazol-2-yl)methyl)thio)-2-(2-(2-fluorophenyl)acetamido)-N-(acridine -9-yl)propionamide

Guidance literature:

In ethanol; for 6h; Reflux;

upstream raw materials:

(2-fluorophenyl)acetic acid

Downstream raw materials:

(2-fluoro-phenyl)-acetic acid-(2-piperidino-ethyl ester)

2-(2-Fluoro-phenyl)-1-(4-methoxy-phenyl)-ethanone

2-(2-Fluoro-phenyl)-N-methoxy-acetamide

1-[(2-fluorophenyl)acetyl]-1,2,3,4-tetrahydrobenzo[c]-1,5-naphthyridine

Refernces

• 1、 Si, Dongjuan,Luo, Huijuan,Zhang, Xiaomeng,Yang, Kundi,Wen, Hongmei,Li, Wei,Liu, Jian. "Design, synthesis and biological evaluation of novel pyrrolidone-based derivatives as potent p53-MDM2 inhibitors". . . Retrieved 2021/08/27.
• 2、 Fang, Hai-Lian,He, Jie-Ling,Li, Wei-Yi,Liu, Shan-Shan,Ni, Wei-Wei,Pan, Xing-Ming,Xiao, Zhu-Ping,Ye, Ya-Xi,Yi, Juan,Zhou, Mi,Zhou, Tian-Li,Zhu, Hai-Liang. "N-monoarylacetothioureas as potent urease inhibitors: synthesis, SAR, and biological evaluation". . p. 404 - 413. Retrieved 2020/01/03.