N-(2-Amino-6-methylphenyl)-5-methyl-3-isoxazolecarboxamide

Base Information

• Chemical Name: N-(2-Amino-6-methylphenyl)-5-methyl-3-isoxazolecarboxamide
• CAS No.: 145440-95-5
• Molecular Formula: C12H13 N3 O2
• Molecular Weight: 231.254
• DSSTox Substance ID: DTXSID10932601
• Nikkaji Number: J517.264K
• Mol file: 145440-95-5.mol

Synonyms:145440-95-5;N-(2-Amino-6-methylphenyl)-5-methyl-3-isoxazolecarboxamide;BRN 5852815;N-(2-amino-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide;3-Isoxazolecarboxamide, N-(2-amino-6-methylphenyl)-5-methyl-;N-(2-Amino-6-methylphenyl)-5-methylisoxazole-3-carboxamide;N-(2-AMINO-6-METHYL-PHENYL)-5-METHYL-OXAZOLE-3-CARBOXAMIDE;DTXSID10932601;ZLIYHUBWUUXMCA-UHFFFAOYSA-N;AKOS015500975;LS-86523;5-Methyl-N-(2-amino-6-methylphenyl)isoxazole-3-carboxamide

Chemical Property of N-(2-Amino-6-methylphenyl)-5-methyl-3-isoxazolecarboxamide

Chemical Property:

• Vapor Pressure: 9.04E-05mmHg at 25°C
• Boiling Point: 339.7°Cat760mmHg
• Flash Point: 159.2°C
• PSA: 81.15000
• Density: 1.29g/cm³
• LogP: 2.78010
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 285

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)N)NC(=O)C2=NOC(=C2)C

Technology Process of N-(2-Amino-6-methylphenyl)-5-methyl-3-isoxazolecarboxamide

There total 3 articles about N-(2-Amino-6-methylphenyl)-5-methyl-3-isoxazolecarboxamide 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: 50.0%

5-Methyl-isoxazole-3-carboxylic acid (2-methyl-6-nitro-phenyl)-amide (145440-94-4) → N-(2-amino-6-methylphenyl)-5-methyl-3-isoxazolecarboxamide (145440-95-5)

Guidance literature:

With hydrogen; nickel; In methanol; at 55 ℃; under 760 Torr;

DOI:10.1016/0223-5234(92)90137-P

Reference yield:

5-methyl-3-isoxazolyl chloride (39499-34-8) → N-(2-amino-6-methylphenyl)-5-methyl-3-isoxazolecarboxamide (145440-95-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / toluene / Ambient temperature

2: 50 percent / H₂ / Raney nickel / methanol / 55 °C / 760 Torr

With hydrogen; triethylamine; nickel; In methanol; toluene;

DOI:10.1016/0223-5234(92)90137-P

Reference yield:

2-Methyl-6-nitroaniline (570-24-1) → N-(2-amino-6-methylphenyl)-5-methyl-3-isoxazolecarboxamide (145440-95-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / toluene / Ambient temperature

2: 50 percent / H₂ / Raney nickel / methanol / 55 °C / 760 Torr

With hydrogen; triethylamine; nickel; In methanol; toluene;

DOI:10.1016/0223-5234(92)90137-P

upstream raw materials:

5-Methyl-isoxazole-3-carboxylic acid (2-methyl-6-nitro-phenyl)-amide

5-methyl-3-isoxazolyl chloride

2-Methyl-6-nitroaniline