2-Fluoro-5-methylbenzoyl chloride

Base Information

• Chemical Name: 2-Fluoro-5-methylbenzoyl chloride
• CAS No.: 135564-61-3
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.586
• Hs Code.: 2916399090
• European Community (EC) Number: 642-576-1
• DSSTox Substance ID: DTXSID40426947
• Wikidata: Q82239723
• Mol file: 135564-61-3.mol

Synonyms:2-Fluoro-5-methylbenzoyl chloride;135564-61-3;2-Fluoro-5-methylbenzoylchloride;SCHEMBL283993;DTXSID40426947;WVRZOPWHCFDYSQ-UHFFFAOYSA-N;2-fluoro-5-methyl-benzoyl chloride;MFCD04973776;AKOS011804905;FS-4873;FT-0643237;A806952

Chemical Property of 2-Fluoro-5-methylbenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.15mmHg at 25°C
• Refractive Index: 1.518
• Boiling Point: 215.1°Cat760mmHg
• Flash Point: 83.9°C
• PSA: 17.07000
• Density: 1.265g/cm³
• LogP: 2.51310
• Sensitive.: Moisture Sensitive
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-5-methylbenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)F)C(=O)Cl

Technology Process of 2-Fluoro-5-methylbenzoyl chloride

There total 1 articles about 2-Fluoro-5-methylbenzoyl 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-fluoro-5-methyl-benzoic acid (321-12-0) → 2-fluoro-5-methylbenzoyl chloride (135564-61-3)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1055/s-2000-6385

Reference yield: 70.0%

N-(5-amino-2-methylphenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide + 2-fluoro-5-methylbenzoyl chloride (135564-61-3) → 2-(4-methyl-3-propionamidophenylamino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b01413

Reference yield: 50.0%

5-tert-butyl-2-(cyclobutylmethyl)-1-methyl-1H-pyrazol-3(2H)-imine (1217421-32-3) + 2-fluoro-5-methylbenzoyl chloride (135564-61-3) → N-[(3E)-5-tert-butyl-2-(cyclobutylmethyl)-1-methyl-1,2-dihydro-3H-pyrazol-3-ylidene]-2-fluoro-5-methylbenzamide

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 4h;

upstream raw materials:

2-fluoro-5-methyl-benzoic acid

Downstream raw materials:

N-(diphenyl-phosphinoylmethyl)-2-fluoro-5,N-dimethyl-benzamide

methyl 1,6-dimethyl-4-oxo-2-phenyl-1,4-dihydroquinoline-3-carboxylate

C₁₁H₁₁FO₃

5-amino-N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2-fluoro-5-methylphenyl)thiazole-4-carboxamide