4-[(5-Methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acid

Base Information

• Chemical Name: 4-[(5-Methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acid
• CAS No.: 306935-78-4
• Molecular Formula: C₈H₈N₂O₄
• Molecular Weight: 196.163
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60351762
• Mol file: 306935-78-4.mol

Synonyms:4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acid;Maybridge3_005687;DTXSID60351762;FT-0617318;3-(5-methylisoxazol-3-ylcarbamoyl)acrylic acid;4-hydroxy-4-(5-methylisoxazole-3-ylimino)but-2-enoic acid

Chemical Property of 4-[(5-Methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acid

Chemical Property:

• Vapor Pressure: 9.76E-11mmHg at 25°C
• Melting Point: 165 °C
• Refractive Index: 1.601
• Boiling Point: 498°Cat760mmHg
• Flash Point: 255°C
• PSA: 92.43000
• Density: 1.441g/cm³
• LogP: 0.63530
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 196.04840674
• Heavy Atom Count: 14
• Complexity: 264

Purity/Quality:

99%, ^*data from raw suppliers

4-[(5-Methylisoxazol-3-yl)amino]-4-oxobut-2-enoic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NO1)NC(=O)C=CC(=O)O

Technology Process of 4-[(5-Methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acid

There total 2 articles about 4-[(5-Methyl-1,2-oxazol-3-yl)amino]-4-oxobut-2-enoic acid 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: 80.0%

maleic anhydride (108-31-6) + 5-methylisoxazol-3-ylamine (1072-67-9) → (Z)-3-(5-Methyl-isoxazol-3-ylcarbamoyl)-acrylic acid (106058-29-1,306935-78-4)

Guidance literature:

at 20 ℃;

Reference yield: 50.0%

maleic anhydride (108-31-6) + 5-methylisoxazol-3-ylamine (1072-67-9) → 3-(5-methylisoxazol-3-ylcarbamoyl)acrylic acid (306935-78-4)

Guidance literature:

In acetic acid; for 10h; Reflux;

DOI:10.1007/s11164-015-2091-5

upstream raw materials:

maleic anhydride

5-methylisoxazol-3-ylamine