4-Fluoro-3-methylbenzoyl chloride

Base Information

• Chemical Name: 4-Fluoro-3-methylbenzoyl chloride
• CAS No.: 455-84-5
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.586
• Hs Code.: 29163990
• European Community (EC) Number: 626-487-5
• DSSTox Substance ID: DTXSID10379113
• Wikidata: Q72474536
• Mol file: 455-84-5.mol

Synonyms:4-Fluoro-3-methylbenzoyl chloride;455-84-5;4-fluoro-3-methylbenzoylchloride;4-FLUORO-M-TOLUOYL CHLORIDE;4-Fluoro-3-Methyl-Benzoyl Chloride;Benzoyl chloride, 4-fluoro-3-methyl-;SCHEMBL193625;DTXSID10379113;FMFLKTDRPXYUGP-UHFFFAOYSA-N;MFCD01631426;AKOS009157948;AM61541;4-FLUORO-3-methyl BENZOYL CHLORIDE;4-fluoro-3-methyl-benzoic acid chloride;4-Fluoro-3-methylbenzoyl chloride, 97%;PS-10789;F1116;FT-0618484;A826851

Chemical Property of 4-Fluoro-3-methylbenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.158mmHg at 25°C
• Refractive Index: n20/D 1.5320(lit.)
• Boiling Point: 214.1 °C at 760 mmHg
• Flash Point: 83.3 °C
• PSA: 17.07000
• Density: 1.265 g/cm³
• LogP: 2.51310
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform (Slightly), DMSO (Sparingly)
• XLogP3: 3.5
• 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%min ^*data from raw suppliers

4-Fluoro-3-methylbenzoyl Chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)Cl)F
• Uses: 4-Fluoro-3-methylbenzoyl Chloride can be used as medicinal compositions as p38MAP kinases and/or TNF-α production inhibitor for pain.

Technology Process of 4-Fluoro-3-methylbenzoyl chloride

There total 2 articles about 4-Fluoro-3-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: 100.0%

4-fluoro-3-methyl-benzoic acid (403-15-6) → 4-fluoro-3-methylbonzoyl chloride (455-84-5)

Guidance literature:

With thionyl chloride; for 1h; Heating / reflux;

Reference yield:

→ 4-fluoro-3-methylbonzoyl chloride (455-84-5)

Guidance literature:

Reference yield: 100.0%

4-fluoro-3-methylbonzoyl chloride (455-84-5) + delcosine (1356-55-4,22091-01-6,56596-01-1,7097-12-3) → 1-(4-fluoro-3-methylbenzoyl)delcosine

Guidance literature:

With pyridine; at 20 ℃; Inert atmosphere;

DOI:10.1007/s11418-019-01331-6

upstream raw materials:

4-fluoro-3-methyl-benzoic acid

Downstream raw materials:

N-(3,5-Dichloro-pyridin-2-yl)-4-fluoro-3-methyl-benzamide

N-(2,4-Dichloro-phenyl)-4-fluoro-3-methyl-benzamide

(R)-2-(4-Fluoro-3-methyl-benzoylamino)-3-hydroxy-propionic acid methyl ester

(4-fluoro-3-methylphenyl)(phenyl)methanone

Refernces

• 1、 -. "NOVEL COMPOUNDS". Paragraph 0360; 0361. . Retrieved 2013/06/27.
• 2、 -. "SUBSTITUTED TRIAZOLES AND THEIR USE FOR TREATMENT AND/OR PREVENTION NEUROLOGICAL AND PSYCHIATRIC DISORDERS". Page/Page column 61. . Retrieved 2013/07/31.