2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetamide

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetamide
• CAS No.: 51234-57-2
• Molecular Formula: C16H13ClN2O2
• Molecular Weight: 300.7396
• DSSTox Substance ID: DTXSID30965512
• Mol file: 51234-57-2.mol

Synonyms:BRN 1015479;2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetamide;51234-57-2;5-Benzoxazoleacetamide, 2-(4-chlorophenyl)-alpha-methyl-;DTXSID30965512;LS-42069;2-[2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl]propanimidic acid

Chemical Property of 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetamide

Chemical Property:

• Vapor Pressure: 1.77E-09mmHg at 25°C
• Boiling Point: 482.8°Cat760mmHg
• Flash Point: 245.8°C
• Density: 1.32g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 300.0665554
• Heavy Atom Count: 21
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)N

Technology Process of 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetamide

There total 10 articles about 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetamide 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:

2-[2-(4-chloro-phenyl)-benzooxazol-5-yl]-propionic acid ethyl ester (51234-41-4) → 2-[2-(4-chloro-phenyl)-benzooxazol-5-yl]-propionamide (51234-57-2)

Guidance literature:

With ammonia; In glycerol; at 150 ℃; for 17h;

DOI:10.1021/jm00235a012

Reference yield:

3-nitro-4-hydroxyphenyl-α-methyl-acetonitrile (51234-22-1,66934-21-2) → 2-[2-(4-chloro-phenyl)-benzooxazol-5-yl]-propionamide (51234-57-2)

Guidance literature:

Multi-step reaction with 5 steps

1: SnCl₂, aq. HCl / ethanol

2: Py

3: aq. HCl / 2.5 h / Heating

4: TsOH / benzene / 12 h / Heating

5: NH₃ / glycerol / 17 h / 150 °C

With pyridine; hydrogenchloride; ammonia; toluene-4-sulfonic acid; tin(ll) chloride; In ethanol; glycerol; benzene;

DOI:10.1021/jm00235a012

Reference yield:

2-(4-hydroxyphenyl)propanenitrile (21850-61-3) → 2-[2-(4-chloro-phenyl)-benzooxazol-5-yl]-propionamide (51234-57-2)

Guidance literature:

Multi-step reaction with 6 steps

1: HNO₃ / acetic acid

2: SnCl₂, aq. HCl / ethanol

3: Py

4: aq. HCl / 2.5 h / Heating

5: TsOH / benzene / 12 h / Heating

6: NH₃ / glycerol / 17 h / 150 °C

With pyridine; hydrogenchloride; ammonia; nitric acid; toluene-4-sulfonic acid; tin(ll) chloride; In ethanol; acetic acid; glycerol; benzene;

DOI:10.1021/jm00235a012

upstream raw materials:

2-[2-(4-chloro-phenyl)-benzooxazol-5-yl]-propionic acid ethyl ester

3-amino-4-hydroxyphenyl-2-methylacetic acid

2-(2-p-chlorophenyl-5-benzoxazolyl)propionitrile

2-(4-hydroxyphenyl)propanenitrile