3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

Base Information

• Chemical Name: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
• CAS No.: 701923-86-6
• Molecular Formula: C₁₁H₁₄ClNO₂
• Molecular Weight: 227.691
• European Community (EC) Number: 867-911-0

Synonyms:3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;701923-86-6;JOV;AKOS000270752;CS-0264006;EN300-9136565;SR-01000275693;SR-01000275693-1;Z68299550

Chemical Property of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.0713064
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

There total 2 articles about 3-chloro-N-(1-hydroxy-2-methylpropan-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:

3-chlorobenzoate (535-80-8) → 3-Chloro-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide (701923-86-6)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 1 h / 100 °C

2: CH₂Cl₂ / 14 h / Ambient temperature

With thionyl chloride; In dichloromethane;

DOI:10.1021/ja00229a037

Reference yield:

m-Chlorobenzoyl chloride (618-46-2) + 2-Amino-2-methyl-1-propanol (124-68-5) → 3-Chloro-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide (701923-86-6)

Guidance literature:

In dichloromethane; for 14h; Yield given; Ambient temperature;

DOI:10.1021/ja00229a037

Reference yield: 70.0%

3-Chloro-N-(2-hydroxy-1,1-dimethyl-ethyl)-benzamide (701923-86-6) → 2-(m-chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole (80762-49-8)

Guidance literature:

With thionyl chloride; In dichloromethane; benzene; 1.) reflux, 2.) room temperature, 2.5 h;

DOI:10.1021/ja00229a037

upstream raw materials:

m-Chlorobenzoyl chloride

2-Amino-2-methyl-1-propanol

3-chlorobenzoate

Downstream raw materials:

2-(m-chlorophenyl)-4,4-dimethyl-4,5-dihydrooxazole

2-(2-Butylphenyl)-4,4-dimethyl-2-oxazoline

4,5-dihydro-4,4-dimethyl-2-phenoxazole

2-butylbenzoic acid

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