5-Fluoro-2-methylbenzoyl chloride

Base Information

• Chemical Name: 5-Fluoro-2-methylbenzoyl chloride
• CAS No.: 21900-39-0
• Molecular Formula: C8H6 Cl F O
• Molecular Weight: 172.586
• Hs Code.: 2916399090
• European Community (EC) Number: 624-324-2
• DSSTox Substance ID: DTXSID70372029
• Wikidata: Q72474539
• Mol file: 21900-39-0.mol

Synonyms:5-Fluoro-2-methylbenzoyl chloride;21900-39-0;5-fluoro-2-methylbenzoylchloride;5-Fluoro-2-Methyl-Benzoyl Chloride;SCHEMBL1364589;DTXSID70372029;2-methyl-5-fluorobenzoyl chloride;HBAQRSDZSVESSF-UHFFFAOYSA-N;5-Fluoro-2-methyl benzoylchloride;5-Fluoro-2-methyl benzoyl chloride;5-fluoro-2-methyl -benzoyl chloride;MFCD00236681;AKOS009157675;Benzoyl chloride, 5-fluoro-2-methyl-;AM61397;5-Fluoro-2-methylbenzoyl chloride, 97%;AS-47811;FT-0620401;F16221;J-014337

Chemical Property of 5-Fluoro-2-methylbenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.178mmHg at 25°C
• Refractive Index: n20/D 1.532(lit.)
• Boiling Point: 108 ºC (24 mmHg)
• Flash Point: 188 ºF
• PSA: 17.07000
• Density: 1.270
• LogP: 2.51310
• Storage Temp.: Keep Cold
• 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:

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

5-Fluoro-2-methylbenzoylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Fluoro-2-methylbenzoyl chloride

There total 2 articles about 5-Fluoro-2-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: 77.0%

5-fluoro-2-methylbenzoic acid (33184-16-6) → 5-fluoro-2-methylbenzoyl chloride (21900-39-0)

Guidance literature:

With thionyl chloride; for 3h; Reflux;

Reference yield:

oxalyl dichloride (79-37-8) + 5-fluoro-2-methylbenzoic acid (33184-16-6) → 5-fluoro-2-methylbenzoyl chloride (21900-39-0)

Guidance literature:

In N-methyl-acetamide; dichloromethane;

Reference yield: 98.0%

morpholine (110-91-8,99108-56-2) + 5-fluoro-2-methylbenzoyl chloride (21900-39-0) → (5-fluoro-2-methylphenyl)(morpholino)methanone (864054-89-7)

Guidance literature:

With triethylamine; In dichloromethane; for 0.25h;

upstream raw materials:

5-fluoro-2-methylbenzoic acid

oxalyl dichloride

Downstream raw materials:

2-Chloro-4-(5-fluoro-2-methyl-benzoylamino)-benzoic acid methyl ester

6-[bis-(5-fluoro-2-methyl-benzoyl)-amino]-nicotinic acid ethyl ester

Refernces

• 1、 Li, Qun,Li, Yanrong,Hu, Weipeng,Hu, Renjian,Li, Guigen,Lu, Hongjian. "Cobalt-Catalyzed C(sp2)?H Methylation by using Dicumyl Peroxide as both the Methylating Reagent and Hydrogen Acceptor". . p. 12286 - 12289. Retrieved 2016.
• 2、 Mu, Shuai,Niu, Duan,Liu, Ying,Zhang, Dashuai,Liu, Dengke,Liu, Changxiao. "An Improved, Scalable and Impurity-Free Process for Lixivaptan". . p. 1608 - 1613. Retrieved 2015/11/09.