N-(2-Amino-4-methylphenyl)-2-methylpropanamide

Base Information

• Chemical Name: N-(2-Amino-4-methylphenyl)-2-methylpropanamide
• CAS No.: 649763-42-8
• Molecular Formula: C11H16N2O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10589811
• Wikidata: Q82483407
• Mol file: 649763-42-8.mol

Synonyms:N-(2-Amino-4-methylphenyl)-2-methylpropanamide;649763-42-8;N-(2-Amino-4-methylphenyl)isobutyramide;SCHEMBL11028055;DTXSID10589811;MFCD10686632;STL411748;AKOS000100340;BS-38324;DB-188286;CS-0322721

Chemical Property of N-(2-Amino-4-methylphenyl)-2-methylpropanamide

Chemical Property:

• Vapor Pressure: 1.18E-05mmHg at 25°C
• Melting Point: 51-52 °C
• Boiling Point: 369.6oC at 760 mmHg
• PKA: 14.49±0.70(Predicted)
• Flash Point: 177.3oC
• PSA: 55.12000
• Density: 1.102g/cm3
• LogP: 2.82590
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

98% ^*data from raw suppliers

N-(2-amino-4-methylphenyl)-2-methylpropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NC(=O)C(C)C)N

Technology Process of N-(2-Amino-4-methylphenyl)-2-methylpropanamide

There total 2 articles about N-(2-Amino-4-methylphenyl)-2-methylpropanamide 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: 62.0%

2-methyl-N-(4-methyl-2-nitrophenyl)propanamide (330469-35-7) → N-(2-amino-4-methylphenyl)-2-methylpropanamide (649763-42-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; ammonium formate; In ethanol; at 20 ℃; for 0.666667h;

DOI:10.1021/ja036940b

Reference yield:

4-methyl-2-nitroaniline (89-62-3) → N-(2-amino-4-methylphenyl)-2-methylpropanamide (649763-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / Et₃N / tetrahydrofuran / 8 h / 20 °C

2: 62 percent / H₂; ammonium formate; Pd/C / ethanol / 0.67 h / 20 °C

With palladium on activated charcoal; hydrogen; ammonium formate; triethylamine; In tetrahydrofuran; ethanol;

DOI:10.1021/ja036940b

Reference yield: 85.0%

N-(2-amino-4-methylphenyl)-2-methylpropanamide (649763-42-8) → 2-amino-N(1)-isobutyl-4-methylaniline (649763-41-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/ja036940b

upstream raw materials:

2-methyl-N-(4-methyl-2-nitrophenyl)propanamide

4-methyl-2-nitroaniline

Downstream raw materials:

2-amino-N⁽¹⁾-isobutyl-4-methylaniline

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