4-Fluoro-3-methylbenzamide

Base Information

• Chemical Name: 4-Fluoro-3-methylbenzamide
• CAS No.: 261945-92-0
• Molecular Formula: C8H8 F N O
• Molecular Weight: 153.156
• Hs Code.: 2924297099
• European Community (EC) Number: 670-737-6
• DSSTox Substance ID: DTXSID60379108
• Wikidata: Q82168773
• Mol file: 261945-92-0.mol

Synonyms:4-fluoro-3-methylbenzamide;261945-92-0;Benzamide, 4-fluoro-3-methyl-;4-fluoro-3-methyl-benzamide;SCHEMBL580392;DTXSID60379108;JIZAZPRNIWVYAX-UHFFFAOYSA-N;MFCD01631489;4-fluoro-3-methyl-benzoic acid amide;AKOS009157963;FS-1096;SB75867;CS-0197093;FT-0693054;A51175;A877319;ETHYL2-PHENYL-2,3-DIHYDRO-INDOLE-3-CARBOXYLATE

Chemical Property of 4-Fluoro-3-methylbenzamide

Chemical Property:

• Boiling Point: 225.1±33.0 °C(Predicted)
• PKA: 16.04±0.50(Predicted)
• PSA: 43.09000
• Density: 1.190±0.06 g/cm3(Predicted)
• LogP: 1.93330
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.058992041
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-3-methylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluoro-3-methylbenzamide

There total 1 articles about 4-Fluoro-3-methylbenzamide 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: 72.0%

4-fluoro-3-methylbonzoyl chloride (455-84-5) → 4-fluoro-3-methylbenzamide (261945-92-0)

Guidance literature:

With ammonia; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 91.0%

4-fluoro-3-methylbenzamide (261945-92-0) → 4-fluoro-3-methylbenzonitrile (185147-08-4)

Guidance literature:

With trichlorophosphate; at 60 ℃; for 4h;

Reference yield: 82.8%

4-fluoro-3-methylbenzamide (261945-92-0) + 1',2',3',4',5',6'-hexahydro-2'H-[2,4'-bipyridine] N-oxide hydrochloride + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 2-(1-{[(4-fluoro-3-methylbenzoyl)amino]methyl}piperidin-4-yl)pyridinium N-oxide

Guidance literature:

1',2',3',4',5',6'-hexahydro-2'H-[2,4'-bipyridine] N-oxide hydrochloride; With potassium carbonate; In 1,4-dioxane; toluene; at 20 ℃; for 0.5h;

4-fluoro-3-methylbenzamide; formaldehyd; In 1,4-dioxane; toluene; at 80 ℃; for 4h;

DOI:10.1021/jm060662k

upstream raw materials:

4-fluoro-3-methylbonzoyl chloride

Downstream raw materials:

4-fluoro-3-methylbenzonitrile

(2S)-1-({2-[2-(4-Fluoro-3-methyl-phenyl)-5-methyl-oxazol-4-yl]-ethylamino}-acetyl)-pyrrolidine-2-carbonitrile

4-(chloromethyl)-2-(4-fluoro-3-methylphenyl)oxazole