N-(3,4-dimethylphenyl)propanamide

Base Information

• Chemical Name: N-(3,4-dimethylphenyl)propanamide
• CAS No.: 22835-89-8
• Molecular Formula: C11H15NO
• Molecular Weight: 177.246
• DSSTox Substance ID: DTXSID60356853
• Wikidata: Q82136461
• Mol file: 22835-89-8.mol

Synonyms:N-(3,4-dimethylphenyl)propanamide;22835-89-8;Propanamide, N-(3,4-dimethylphenyl)-;N-(3,4-Dimethylphenyl)propionamide;N-(3,4-Dimethyl-phenyl)-propionamide;SCHEMBL13662282;DTXSID60356853;PLMXIUPNZHAGEM-UHFFFAOYSA-N;N-(3,4-dimethylphenyl)propion amide;AKOS000649757;AN-652/11631151

Chemical Property of N-(3,4-dimethylphenyl)propanamide

Chemical Property:

• Melting Point: 114 °C(Solv: ethanol (64-17-5))
• Boiling Point: 327.7±11.0 °C(Predicted)
• PKA: 15.13±0.70(Predicted)
• PSA: 29.10000
• Density: 1.033±0.06 g/cm3(Predicted)
• LogP: 2.72490
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

N-(3,4-Dimethylphenyl)propionamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NC1=CC(=C(C=C1)C)C

Technology Process of N-(3,4-dimethylphenyl)propanamide

There total 2 articles about N-(3,4-dimethylphenyl)propanamide 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: 58.0%

propionyl chloride (79-03-8) + 4-amino-o-xylene (95-64-7) → N-(3,4-dimethylphenyl)propion amide (22835-89-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 25 ℃;

DOI:10.1021/acs.joc.8b00120

Reference yield:

→ N-(3,4-dimethylphenyl)propion amide (22835-89-8)

Guidance literature:

3.4-Dimethyl-anilin, entspr. Acylchlorid, sd. Bzl.;

DOI:10.1021/jm00297a017

Reference yield: 45.0%

indan-1,2,3-trione hydrate (485-47-2) + N-(3,4-dimethylphenyl)propion amide (22835-89-8) → N-(2-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-4,5-dimethylphenyl)propionamide (1416235-99-8)

Guidance literature:

With sulfuric acid; at 20 ℃; for 1.5h;

upstream raw materials:

propionyl chloride

4-amino-o-xylene

Downstream raw materials:

N-(2-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)-4,5-dimethylphenyl)propionamide

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