3-Isoxazoleacetamide, N-(2,6-dimethylphenyl)-5-methyl-

Base Information

• Chemical Name: 3-Isoxazoleacetamide, N-(2,6-dimethylphenyl)-5-methyl-
• CAS No.: 130403-07-5
• Molecular Formula: C₁₄H₁₆N₂O₂
• Molecular Weight: 244.293
• DSSTox Substance ID: DTXSID00156516
• Nikkaji Number: J516.552K
• Wikidata: Q83024588
• Mol file: 130403-07-5.mol

Synonyms:BRN 5817731;3-Isoxazoleacetamide, N-(2,6-dimethylphenyl)-5-methyl-;N-(2,6-Dimethylphenyl)-5-methyl-3-isoxazoleacetamide;130403-07-5;DTXSID00156516;AKOS027477157;LS-86499;N-(2,6-Dimethylphenyl)-2-(5-methylisoxazol-3-yl)acetamide

Chemical Property of 3-Isoxazoleacetamide, N-(2,6-dimethylphenyl)-5-methyl-

Chemical Property:

• Vapor Pressure: 9.75E-08mmHg at 25°C
• Boiling Point: 434.1°Cat760mmHg
• Flash Point: 216.3°C
• Density: 1.174g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.121177757
• Heavy Atom Count: 18
• Complexity: 286

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)NC(=O)CC2=NOC(=C2)C

Technology Process of 3-Isoxazoleacetamide, N-(2,6-dimethylphenyl)-5-methyl-

There total 3 articles about 3-Isoxazoleacetamide, N-(2,6-dimethylphenyl)-5-methyl- 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:

3-chloromethyl-5-methylisoxazole (35166-37-1) → N-(2,6-Dimethyl-phenyl)-2-(5-methyl-isoxazol-3-yl)-acetamide (130403-07-5)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOH

2: SOCl₂

3: Et₃N / toluene / Ambient temperature

With sodium hydroxide; thionyl chloride; triethylamine; In toluene;

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

Reference yield:

(5-methyl-1,2-oxazol-3-yl)acetic acid (57612-87-0) → N-(2,6-Dimethyl-phenyl)-2-(5-methyl-isoxazol-3-yl)-acetamide (130403-07-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: Et₃N / toluene / Ambient temperature

With thionyl chloride; triethylamine; In toluene;

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

Reference yield:

(5-Methyl-isoxazol-3-yl)-acetyl chloride + 2,6-dimethylaniline (87-62-7) → N-(2,6-Dimethyl-phenyl)-2-(5-methyl-isoxazol-3-yl)-acetamide (130403-07-5)

Guidance literature:

With triethylamine; In toluene; Ambient temperature;

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

upstream raw materials:

2,6-dimethylaniline

3-chloromethyl-5-methylisoxazole

(5-methyl-1,2-oxazol-3-yl)acetic acid