2-Fluoro-4-methylbenzoyl chloride

Base Information

• Chemical Name: 2-Fluoro-4-methylbenzoyl chloride
• CAS No.: 59189-98-9
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.586
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80409153
• Mol file: 59189-98-9.mol

Synonyms:2-Fluoro-4-methylbenzoyl chloride;59189-98-9;2-fluoro-4-methyl-benzoyl Chloride;Benzoyl chloride, 2-fluoro-4-methyl-;BENZOYL CHLORIDE, 2-FLUORO-4-METHYL- (9CI);SCHEMBL2373875;2-fluoro-4-methylbenzoylchloride;DTXSID80409153;SVSVOPWCUHQFAM-UHFFFAOYSA-N;MFCD04115879;AKOS006280485

Chemical Property of 2-Fluoro-4-methylbenzoyl chloride

Chemical Property:

• Melting Point: 43-47℃
• PSA: 17.07000
• LogP: 2.51310
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• 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:

99% ^*data from raw suppliers

2-Fluoro-4-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)C(=O)Cl)F

Technology Process of 2-Fluoro-4-methylbenzoyl chloride

There total 3 articles about 2-Fluoro-4-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-4-methylbenzoic Acid (7697-23-6) → 2-fluoro-4-methylbenzoyl chloride (59189-98-9)

Guidance literature:

With thionyl chloride; In toluene; for 2.5h; Reflux;

DOI:10.1021/jm8008162

Reference yield:

4-bromo-3-fluorotoluene (452-74-4) + butyryl chloride (141-75-3) → 2-fluoro-4-methylbenzoyl chloride (59189-98-9)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 100 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.202005891

Reference yield:

2‐fluoro‐1‐iodo‐4‐methylbenzene (452-79-9) + butyryl chloride (141-75-3) → 2-fluoro-4-methylbenzoyl chloride (59189-98-9)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 100 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.202005891

upstream raw materials:

2-fluoro-4-methylbenzoic Acid

2‐fluoro‐1‐iodo‐4‐methylbenzene

butyryl chloride

4-bromo-3-fluorotoluene

Downstream raw materials:

2-fluoro-N-(quinolin-8-yl)-4-methylbenzamide

3-methylbenzo[4,5]imidazo[2,1-b]quinazolin-12-one

{3-[[1-(3-benzyl-8-chloro-7-methoxy-4-oxo-3,4-dihydro-pyrazolo[1,5-a][1,3,5]triazin-2-yl)-2-methyl-n-propyl]-(2-fluoro-4-methyl-benzoyl)-amino]-n-propyl}-carbamic acid tert-butyl ester

Refernces

• 1、 -. "PIPERAZINE SUBSTITUTED AZAPINE DERIVATIVES AND USES THEREOF". Paragraph 0966-0968; 1101-1103. . Retrieved 2021/04/23.
• 2、 Liu, Pei,Tang, Jinghua,Zeng, Xiaoming. "Site-Selective Silylation of Aliphatic C-H Bonds Mediated by [1,5]-Hydrogen Transfer: Synthesis of α-Sila Benzamides". supporting information. p. 5536 - 5539. Retrieved 2016/11/17.