4-fluoro-N-(2-methylpropyl)benzamide

Base Information

• Chemical Name: 4-fluoro-N-(2-methylpropyl)benzamide
• CAS No.: 88358-25-2
• Molecular Formula: C11H14FNO
• Molecular Weight: 195.23300
• DSSTox Substance ID: DTXSID10349952
• Nikkaji Number: J3.177.391A
• Wikidata: Q82125564
• Mol file: 88358-25-2.mol

Synonyms:4-fluoro-N-(2-methylpropyl)benzamide;88358-25-2;4-Fluoro-N-isobutylbenzamide;Benzamide, 4-fluoro-N-(2-methylpropyl)-;N-Isobutyl-4-fluorobenzamide;SCHEMBL6755639;Benzamide, 4-fluoro-N-isobutyl-;DTXSID10349952;MFCD01214138;STK082627;AKOS000673174

Chemical Property of 4-fluoro-N-(2-methylpropyl)benzamide

Chemical Property:

• PSA: 29.10000
• LogP: 2.60240
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 195.105942232
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-fluoro-N-(2-methylpropyl)benzamide

There total 6 articles about 4-fluoro-N-(2-methylpropyl)benzamide 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%

isobutylamine (78-81-9) + 4-fluorobenzoyl chloride (403-43-0) → p-fluoro-N-isobutylbenzamide (88358-25-2)

Guidance literature:

With triethylamine; In benzene;

DOI:10.1021/je00036a041

Reference yield: 80.0%

Dihydroxy-isobutyl-boran (84110-40-7) + p-fluorobenzamide (824-75-9) → p-fluoro-N-isobutylbenzamide (88358-25-2)

Guidance literature:

With di-tert-butyl peroxide; sodium trimethylsilanolate; copper(I) bromide; In tert-butyl alcohol; at 75 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol401004r

Reference yield:

(E)-1-(4-fluorophenyl)-3-methylbutan-1-one oxime → Isovaleriansaeure-<4-fluor-anilid> (5215-17-8) + p-fluoro-N-isobutylbenzamide (88358-25-2)

Guidance literature:

(E)-1-(4-fluorophenyl)-3-methylbutan-1-one oxime; With (Ir[dF(CF₃)ppy]₂(dtbpy))PF₆; N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere; Irradiation;

With 1,3,5-trichloro-2,4,6-triazine; N,N-dimethyl-formamide; at 20 ℃; for 20h; Overall yield = 51 percent; regioselective reaction; Inert atmosphere; Darkness;

DOI:10.1021/jacs.1c10148

upstream raw materials:

isobutylamine

4-fluorobenzoyl chloride

Dihydroxy-isobutyl-boran

p-fluorobenzamide