3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-(1-methylethyl)phenyl)-

Base Information

• Chemical Name: 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-(1-methylethyl)phenyl)-
• CAS No.: 130403-03-1
• Molecular Formula: C₁₅H₁₈N₂O₂
• Molecular Weight: 258.32
• DSSTox Substance ID: DTXSID20156513
• Nikkaji Number: J517.262D
• Wikidata: Q83024585
• Mol file: 130403-03-1.mol

Synonyms:BRN 5817978;3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-(1-methylethyl)phenyl)-;5-Methyl-N-(2-methyl-6-(1-methylethyl)phenyl)-3-isoxazolecarboxamide;130403-03-1;SCHEMBL9512406;DTXSID20156513;STK484930;AKOS003389239;LS-86567;Z26400109;5-Methyl-N-(2-methyl-6-isopropylphenyl)isoxazole-3-carboxamide;5-methyl-N-[2-methyl-6-(propan-2-yl)phenyl]-1,2-oxazole-3-carboxamide

Chemical Property of 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-(1-methylethyl)phenyl)-

Chemical Property:

• Vapor Pressure: 0.000186mmHg at 25°C
• Boiling Point: 328.7°Cat760mmHg
• Flash Point: 152.6°C
• Density: 1.138g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 258.136827821
• Heavy Atom Count: 19
• Complexity: 319

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: CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=NOC(=C2)C

Technology Process of 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-(1-methylethyl)phenyl)-

There total 2 articles about 3-Isoxazolecarboxamide, 5-methyl-N-(2-methyl-6-(1-methylethyl)phenyl)- 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-3-isoxazolyl chloride (39499-34-8) + 2-isopropyl-6-methylaniline (5266-85-3) → 3-(2-methyl 6-isopropyl phenylcarbamoyl)-5-methyl isoxazole (130403-03-1)

Guidance literature:

With triethylamine; In toluene; for 4h; Heating;

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

Reference yield:

→ 3-(2-methyl 6-isopropyl phenylcarbamoyl)-5-methyl isoxazole (130403-03-1)

Guidance literature:

upstream raw materials:

5-methyl-3-isoxazolyl chloride

2-isopropyl-6-methylaniline