N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide

Base Information

• Chemical Name: N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide
• CAS No.: 54016-23-8
• Molecular Formula: C11H14N2O2
• Molecular Weight: 206.2411
• NSC Number: 85105
• DSSTox Substance ID: DTXSID90876438
• Wikidata: Q82858074
• Mol file: 54016-23-8.mol

Synonyms:54016-23-8;NSC85105;NCIOpen2_004813;DTXSID90876438;NSC-85105;AKOS010476289;Benzamide, N-(2-amino-1,1-dimethyl-2-oxoethyl)-

Chemical Property of N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide

Chemical Property:

• Vapor Pressure: 5.84E-09mmHg at 25°C
• Boiling Point: 468.7°Cat760mmHg
• Flash Point: 237.3°C
• Density: 1.144g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 206.105527694
• Heavy Atom Count: 15
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(1-amino-2-methyl-1-oxopropan-2-yl)benzamide

There total 6 articles about N-(1-amino-2-methyl-1-oxopropan-2-yl)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: 91.0%

4,4-dimethyl-2-phenyl-5-oxazolone (7563-05-5) → N-(1-Carbamoyl-1-methylethyl)benzamid (54016-23-8)

Guidance literature:

With ammonia; In diethyl ether; for 1h; Ambient temperature;

DOI:10.1002/hlca.19860690217

Reference yield:

N-(1-Carbamimidoyl-1-methyl-ethyl)-benzamide; hydrochloride (54016-21-6) → N-(1-Carbamoyl-1-methylethyl)benzamid (54016-23-8)

Guidance literature:

With diethyl ether; In ethanol;

DOI:10.1246/bcsj.47.1720

Reference yield:

N-<1-(N,N-Dimethylcarbamoyl)-1-methylethyl>benzamid (54930-66-4) → N-(1-Carbamoyl-1-methylethyl)benzamid (54016-23-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / HCl gas / toluene / 0.17 h / 80 °C

2: 91 percent / NH₃ / diethyl ether / 1 h / Ambient temperature

With hydrogenchloride; ammonia; In diethyl ether; toluene;

DOI:10.1002/hlca.19860690217

upstream raw materials:

N-benzoyl-2-methylalanine

N-(1-Carbamimidoyl-1-methyl-ethyl)-benzamide; hydrochloride

4,4-dimethyl-2-phenyl-5-oxazolone

ammonia

Downstream raw materials:

5,5-dimethyl-2-phenyl-3,5-dihydro-imidazol-4-one

4,4-dimethyl-2-phenyl-1,3-thiazole-5(4H)-thione