3-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE

Base Information

• Chemical Name: 3-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
• CAS No.: 171243-30-4
• Molecular Formula: C8H3ClF4O
• Molecular Weight: 226.558
• Hs Code.: 29163990
• Mol file: 171243-30-4.mol

Synonyms:3-Fluoro-5-trifluoromethylbenzoylchloride;

Chemical Property of 3-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE

Chemical Property:

• Vapor Pressure: 0.375mmHg at 25°C
• Refractive Index: n20/D 1.462(lit.)
• Boiling Point: 197.6 °C at 760 mmHg
• Flash Point: 73.3 °C
• PSA: 17.07000
• Density: 1.475g/cm³
• LogP: 3.22350
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Fluoro-5-(trifluoromethyl)benzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 3-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL CHLORIDE

There total 1 articles about 3-FLUORO-5-(TRIFLUOROMETHYL)BENZOYL 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-fluoro-5-(trifluoromethyl)benzoic acid (161622-05-5) → 3-fluoro-5-trifluoromethylbenzoyl chloride (171243-30-4)

Guidance literature:

With thionyl chloride; In toluene; at 70 ℃; for 2h;

DOI:10.1021/acs.jmedchem.5b01630

Reference yield: 91.0%

N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) + 3-fluoro-5-trifluoromethylbenzoyl chloride (171243-30-4) → 3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide (329941-91-5)

Guidance literature:

With triethylamine; In chloroform; at 0 - 20 ℃; for 3.75h;

Reference yield: 84.7%

2-(3-aminophenyl)acetic acid amide (129743-47-1) + 3-fluoro-5-trifluoromethylbenzoyl chloride (171243-30-4) → N-[3-(carbamoylmethyl)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide

Guidance literature:

With pyridine; dmap; at 20 ℃; for 16h;

upstream raw materials:

3-fluoro-5-(trifluoromethyl)benzoic acid

Downstream raw materials:

3-Fluoro-5-trifluoromethyl-benzoic acid (2R,3S)-4-benzyl-3-phenyl-morpholin-2-yl ester

3-fluoro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide

(3-fluoro-5-trifluoromethyl-phenyl)-p-tolyl-methanone

(5-chloro-2-hydroxyphenyl)[3-fluoro-5-(trifluoromethyl)phenyl]methanone

Refernces

• 1、 Getlik, Matth?us,Smil, David,Zepeda-Velázquez, Carlos,Bolshan, Yuri,Poda, Gennady,Wu, Hong,Dong, Aiping,Kuznetsova, Ekaterina,Marcellus, Richard,Senisterra, Guillermo,Dombrovski, Ludmila,Hajian, Taraneh,Kiyota, Taira,Schapira, Matthieu,Arrowsmith, Cheryl H.,Brown, Peter J.,Vedadi, Masoud,Al-Awar, Rima. "Structure-Based Optimization of a Small Molecule Antagonist of the Interaction between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1)". supporting information. p. 2478 - 2496. Retrieved 2016/04/10.