N-(4-Acetyl-3-methylphenyl)acetamide

Base Information

• Chemical Name: N-(4-Acetyl-3-methylphenyl)acetamide
• CAS No.: 34956-31-5
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.23
• Hs Code.: 29242990
• European Community (EC) Number: 681-984-4
• DSSTox Substance ID: DTXSID10372028
• Nikkaji Number: J2.055.351K
• Wikidata: Q72434067
• Mol file: 34956-31-5.mol

Synonyms:N-(4-Acetyl-3-methylphenyl)acetamide;34956-31-5;4'-Acetamido-2'-methylacetophenone;4-ACETAMIDO-2-METHYLACETOPHENONE;SCHEMBL3326689;4'-Acetyl-3'-methylacetoanilide;DTXSID10372028;PTARWPNYVATTDE-UHFFFAOYSA-N;MFCD02258876;AKOS022172350;PS-3018;4'-Acetamido-2'-methylacetophenone, 97%;N-ACETYL-4-ACETYL-3-METHYLANILINE;CS-0153112;FT-0639223;A822478;J-019814

Chemical Property of N-(4-Acetyl-3-methylphenyl)acetamide

Chemical Property:

• Melting Point: 137-140 °C(lit.)
• Boiling Point: 384.475 °C at 760 mmHg
• PKA: 14.60±0.70(Predicted)
• Flash Point: 166.507 °C
• PSA: 46.17000
• Density: 1.123 g/cm³
• LogP: 2.22900
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

98%,99%, ^*data from raw suppliers

4''-Acetamido-2’-methylacetophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)NC(=O)C)C(=O)C
• Uses: 4′-Acetamido-2′-methylacetophenone may be used in the preparation of 4-amino-2-methylacetophenone by acid hydrolysis.

Technology Process of N-(4-Acetyl-3-methylphenyl)acetamide

There total 3 articles about N-(4-Acetyl-3-methylphenyl)acetamide 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: 48.8%

acetyl chloride (75-36-5) → N-(4-acetyl-3-methylphenyl)acetamide (34956-31-5)

Guidance literature:

3-Methylacetanilide; With aluminum (III) chloride; In dichloromethane; at 0 - 10 ℃;

acetyl chloride; In dichloromethane; at 20 ℃;

Reference yield:

3-Methylacetanilide (537-92-8) + acetyl chloride (75-36-5) → N-(4-acetyl-3-methylphenyl)acetamide (34956-31-5)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/jo50011a008 DOI:10.1246/bcsj.30.958

Reference yield:

→ N-(4-acetyl-3-methylphenyl)acetamide (34956-31-5)

Guidance literature:

m-Acetotoluidid;

upstream raw materials:

3-Methylacetanilide

acetyl chloride

Downstream raw materials:

2-methyl-4-aminoacetophenone

acetophenone

N-(3-methyl-4-(2-(4-morpholinyl)-2-thioxoethyl)phenyl)acetamide

(E)-1-(4-amino-2-methylphenyl)-3-(3-methyl-1H-indazol-5-yl)prop-2-en-1-one

Refernces

• 1、 -. "TRIAZOLOPYRIDAZINE DERIVATIVES". Page/Page column 35-36. . Retrieved 2008/06/13.
• 2、 -. "Aryl and heteroaryl (phosphinylmethyl)phosphonate squalene synthetase inhibitors and method". . . Retrieved 2008/06/13.