5-Fluoro-2-methylbenzamide

Base Information

• Chemical Name: 5-Fluoro-2-methylbenzamide
• CAS No.: 175278-28-1
• Molecular Formula: C₈H₈FNO
• Molecular Weight: 153.156
• Hs Code.: 2924299090
• European Community (EC) Number: 671-919-8
• DSSTox Substance ID: DTXSID70372024
• Wikidata: Q82159605
• Mol file: 175278-28-1.mol

Synonyms:5-Fluoro-2-methylbenzamide;175278-28-1;Benzamide,5-fluoro-2-methyl-;Benzamide, 5-fluoro-2-methyl-;5-fluoranyl-2-methyl-benzamide;SCHEMBL2852106;DTXSID70372024;MFCD00205105;AKOS009102422;FS-1170;SB75773;CS-0153616;FT-0620398;D94562;A812052

Chemical Property of 5-Fluoro-2-methylbenzamide

Chemical Property:

• Vapor Pressure: 0.155mmHg at 25°C
• Melting Point: 120 °C
• Refractive Index: 1.534
• Boiling Point: 214.6 °C at 760 mmHg
• PKA: 15.47±0.50(Predicted)
• Flash Point: 83.6 °C
• PSA: 43.09000
• Density: 1.19 g/cm³
• LogP: 1.93330
• 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:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Fluoro-2-methylbenzamide

There total 4 articles about 5-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: 80.0%

(5-fluoro-2-methylphenyl)methanol (22062-54-0) → 5-fluoro-2-methylbenzamide (175278-28-1)

Guidance literature:

With ammonium hydroxide; In water; at 120 ℃; for 24h; under 7500.75 Torr; Sealed tube; Autoclave;

DOI:10.1016/j.chempr.2021.12.001

Reference yield: 77.6%

5-fluoro-2-methylbenzoic acid (33184-16-6) + 1,1'-carbonyldiimidazole (530-62-1) → 5-fluoro-2-methylbenzamide (175278-28-1)

Guidance literature:

5-fluoro-2-methylbenzoic acid; 1,1'-carbonyldiimidazole; In dichloromethane; at 35 ℃; for 1h;

With ammonia; In dichloromethane; at 35 ℃; for 2h;

Reference yield: 59.0%

3-fluoro-6-methylbenzonitrile (77532-79-7) → 5-fluoro-2-methylbenzamide (175278-28-1)

Guidance literature:

With copper(l) iodide; caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In nitromethane; water; at 20 - 100 ℃; for 3h;

DOI:10.1055/s-0037-1609912

upstream raw materials:

5-fluoro-2-methylbenzoic acid

3-fluoro-6-methylbenzonitrile

1,1'-carbonyldiimidazole

(5-fluoro-2-methylphenyl)methanol

Refernces

• 1、 -. "Synthesis method of 7-fluoroisoquinoline-1-carboxylic acid". Paragraph 0016. . Retrieved 2021/02/13.
• 2、 Kuwabara, Jun,Sawada, Yoshiharu,Yoshimatsu, Mitsuhiro. "Nitrile Hydration Reaction Using Copper Iodide/Cesium Carbonate/DBU in Nitromethane-Water". supporting information. p. 2061 - 2065. Retrieved 2018/09/14.