(2-Chloro-4-fluorophenyl)acetyl chloride

Base Information

• Chemical Name: (2-Chloro-4-fluorophenyl)acetyl chloride
• CAS No.: 676348-45-1
• Molecular Formula: C₈H₅Cl₂FO
• Molecular Weight: 207.032
• Hs Code.: 2916399090
• European Community (EC) Number: 673-216-1
• DSSTox Substance ID: DTXSID30373951
• Wikidata: Q82162366
• Mol file: 676348-45-1.mol

Synonyms:676348-45-1;(2-Chloro-4-fluorophenyl)acetyl chloride;(2-chloro-4-fluoro-phenyl)-acetyl chloride;2-(2-chloro-4-fluorophenyl)acetyl chloride;SCHEMBL837008;DTXSID30373951;KRRSVTMKTCLBFZ-UHFFFAOYSA-N;2-chloro-4-fluorophenylacetyl chloride;(2-chloro-4-fluorophenyl)-acetyl chloride;FT-0759046;(2-CHLORO-4-FLUORO-PHENYL)-ACETYLCHLORIDE

Chemical Property of (2-Chloro-4-fluorophenyl)acetyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 2.78700
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.9701483
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98% ^*data from raw suppliers

(2-Chloro-4-fluorophenyl)acetylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)CC(=O)Cl

Technology Process of (2-Chloro-4-fluorophenyl)acetyl chloride

There total 1 articles about (2-Chloro-4-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-(2-chloro-4-fluorophenyl)acetic acid (177985-32-9) → 2-chloro-4-fluorophenylacetyl chloride (676348-45-1)

Guidance literature:

With pyridine; 1,3,5-trichloro-2,4,6-triazine; In dichloromethane; at 50 ℃; for 0.25h; Microwave irradiation;

DOI:10.1016/j.tetlet.2011.03.052

Reference yield:

2,2'-azanediyldibenzonitrile (117847-15-1) + 2-chloro-4-fluorophenylacetyl chloride (676348-45-1) → 2-(2’-chloro-4-fluorophenyl)-N,N-bis(2-cyanophenyl)acetamide

Guidance literature:

2,2'-azanediyldibenzonitrile; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

2-chloro-4-fluorophenylacetyl chloride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃;

DOI:10.1002/anie.201409860

Reference yield:

2,2'-azanediyldibenzonitrile (117847-15-1) + 2-chloro-4-fluorophenylacetyl chloride (676348-45-1) → (E)-ethyl 3-[5-(2’-(bis(2’’-cyanophenyl)amino)-2’-oxoethyl)-4-chloro-2-fluorophenyl]acrylate

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / mineral oil; N,N-dimethyl-formamide / 0.5 h / 0 °C

1.2: 0 °C

2.1: potassium dihydrogenphosphate; silver(I) acetate; formylglycine; palladium diacetate / 24 h / 90 °C

With potassium dihydrogenphosphate; formylglycine; silver(I) acetate; palladium diacetate; sodium hydride; In N,N-dimethyl-formamide; mineral oil;

DOI:10.1002/anie.201409860

upstream raw materials:

2-(2-chloro-4-fluorophenyl)acetic acid

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、 Mahdi, Jasia,Ankati, Haribabu,Gregory, Jill,Tenner, Brian,Biehl, Edward R.. "Synthesis of (2-chlorophenyl)(phenyl)methanones and 2-(2-chlorophenyl)-1- phenylethanones by Friedel-Crafts acylation of 2-chlorobenzoic acids and 2-(2-chlorophenyl)acetic acids using microwave heating". experimental part. p. 2594 - 2596. Retrieved 2011/06/21.