N-(2,6-Dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-2-propenamide

Base Information

• Chemical Name: N-(2,6-Dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-2-propenamide
• CAS No.: 145441-04-9
• Molecular Formula: C₁₅H₁₆N₂O₂
• Molecular Weight: 256.304
• Nikkaji Number: J516.553I
• Wikidata: Q76389238
• Mol file: 145441-04-9.mol

Synonyms:BRN 5817989;2-Propenamide, N-(2,6-dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-;N-(2,6-Dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-2-propenamide;145441-04-9;LS-123364;N-(2,6-Dimethylphenyl)-3-(5-methylisoxazol-3-yl)acrylamide

Chemical Property of N-(2,6-Dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-2-propenamide

Chemical Property:

• Vapor Pressure: 4.59E-09mmHg at 25°C
• Boiling Point: 471.6°C at 760 mmHg
• Flash Point: 239°C
• Density: 1.185g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.121177757
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=O)C=CC2=NOC(=C2)C
• Isomeric SMILES: CC1=C(C(=CC=C1)C)NC(=O)/C=C/C2=NOC(=C2)C

Technology Process of N-(2,6-Dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-2-propenamide

There total 2 articles about N-(2,6-Dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-2-propenamide 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-isoxazole-3-carbaldehyde (62254-74-4) → (E)-N-(2,6-Dimethyl-phenyl)-3-(5-methyl-isoxazol-3-yl)-acrylamide (145441-04-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 66.6 percent / pyridine / 4 h / 95 °C

2: SOCl₂

3: Et₃N / toluene / 4 h / Heating

With pyridine; thionyl chloride; triethylamine; In toluene;

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

Reference yield:

(E)-3-(5-Methyl-isoxazol-3-yl)-acryloyl chloride + 2,6-dimethylaniline (87-62-7) → (E)-N-(2,6-Dimethyl-phenyl)-3-(5-methyl-isoxazol-3-yl)-acrylamide (145441-04-9)

Guidance literature:

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

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

upstream raw materials:

2,6-dimethylaniline

5-methyl-isoxazole-3-carbaldehyde