4-Fluoro-2-methylbenzamide

Base Information

• Chemical Name: 4-Fluoro-2-methylbenzamide
• CAS No.: 886501-45-7
• Molecular Formula: C₈H₈FNO
• Molecular Weight: 153.156
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID101311025
• Mol file: 886501-45-7.mol

Synonyms:4-Fluoro-2-methylbenzamide;886501-45-7;SCHEMBL2465455;DTXSID101311025;MFCD04116010;AKOS006292668;JS-4346;CS-0165164;E79248;4-fluoro-2-methylbenzamide? (Trelagliptin Impurity pound(c)

Chemical Property of 4-Fluoro-2-methylbenzamide

Chemical Property:

• XLogP3: 1.3
• 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:

99% ^*data from raw suppliers

4-Fluoro-2-methylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Fluoro-2-methylbenzamide

There total 2 articles about 4-Fluoro-2-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:

4-fluoro-2-methylbenzoyl chloride (21900-43-6) → 4-fluoro-2-methylbenzamide (886501-45-7)

Guidance literature:

With ammonium hydroxide; at 0 - 20 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201400225

Reference yield:

4-fluoro-2-methylbenzoic acid (321-21-1) → 4-fluoro-2-methylbenzamide (886501-45-7)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 4 h / 20 °C / Inert atmosphere; Schlenk technique; Reflux

2: ammonium hydroxide / 4 h / 0 - 20 °C / Inert atmosphere; Schlenk technique

With ammonium hydroxide; thionyl chloride;

DOI:10.1002/anie.201400225

Reference yield: 75.0%

4-fluoro-2-methylbenzamide (886501-45-7) → 4-fluoro-2-(difluoromethyl)benzamide (1630983-11-7)

Guidance literature:

With sodium persulfate; silver nitrate; Selectfluor; In water; acetonitrile; at 80 ℃; for 3h; Inert atmosphere; Schlenk technique; Cooling with liquid nitrogen;

DOI:10.1002/anie.201400225

upstream raw materials:

4-fluoro-2-methylbenzoyl chloride

4-fluoro-2-methylbenzoic acid

Downstream raw materials:

4-fluoro-2-(difluoromethyl)benzamide