4,5-Dihydro-N-(2,6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide

Base Information

• Chemical Name: 4,5-Dihydro-N-(2,6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide
• CAS No.: 130402-94-7
• Molecular Formula: C₁₃H₁₆N₂O₂
• Molecular Weight: 232.282
• DSSTox Substance ID: DTXSID10926722
• Nikkaji Number: J516.560A

Synonyms:BRN 5817304;4,5-Dihydro-N-(2,6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide;3-Isoxazolecarboxamide, 4,5-dihydro-N-(2,6-dimethylphenyl)-5-methyl-;130402-94-7;SCHEMBL9511158;DTXSID10926722;N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,2-oxazole-3-carboxamide;LS-86534;5-Methyl-4,5-dihydro-N-(2,6-dimethylphenyl)isoxazole-3-carboxamide

Chemical Property of 4,5-Dihydro-N-(2,6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.18g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.121177757
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=NO1)C(=O)NC2=C(C=CC=C2C)C

Technology Process of 4,5-Dihydro-N-(2,6-dimethylphenyl)-5-methyl-3-isoxazolecarboxamide

There total 2 articles about 4,5-Dihydro-N-(2,6-dimethylphenyl)-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:

5-Methyl-4,5-dihydro-isoxazole-3-carboxylic acid methyl ester (524729-72-4) + 2,6-dimethylaniline (87-62-7) → 3-(2,6-dimethyl phenylcarbamoyl) 5-methyl isoxazoline (130402-94-7)

Guidance literature:

With sodium hydroxide; thionyl chloride; Multistep reaction;

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

Reference yield:

→ 3-(2,6-dimethyl phenylcarbamoyl) 5-methyl isoxazoline (130402-94-7)

Guidance literature:

upstream raw materials:

5-Methyl-4,5-dihydro-isoxazole-3-carboxylic acid methyl ester

2,6-dimethylaniline

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