Methyl oxazole-2-carboxylate

Base Information

• Chemical Name: Methyl oxazole-2-carboxylate
• CAS No.: 31698-88-1
• Molecular Formula: C5H5NO3
• Molecular Weight: 127.1
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40701569
• Wikidata: Q82633284
• Mol file: 31698-88-1.mol

Synonyms:Methyl oxazole-2-carboxylate;31698-88-1;METHYL 1,3-OXAZOLE-2-CARBOXYLATE;METHYL 2-OXAZOLECARBOXYLATE;OXAZOLE-2-CARBOXYLIC ACID METHYL ESTER;Methyloxazole-2-carboxylate;SCHEMBL742254;DTXSID40701569;MFCD07699294;AKOS006285624;AB42108;DS-2740;CS-0150742;FT-0703986;C74629;EN300-226132;A856303

Chemical Property of Methyl oxazole-2-carboxylate

Chemical Property:

• Boiling Point: 177.2±23.0 °C(Predicted)
• PKA: -1.93±0.10(Predicted)
• PSA: 52.33000
• Density: 1.229±0.06 g/cm3(Predicted)
• LogP: 0.46120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 127.026943022
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

98%min ^*data from raw suppliers

METHYL OXAZOLE-2-CARBOXYLATE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC=CO1

Technology Process of Methyl oxazole-2-carboxylate

There total 1 articles about Methyl oxazole-2-carboxylate 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:

isoxazole-3-carboxylic acid methyl ester (25742-68-1) → methyl oxazole-2-carboxylate (31698-88-1)

Guidance literature:

In diethyl ether; Irradiation;

DOI:10.1039/j39710001196

Reference yield:

methyl oxazole-2-carboxylate (31698-88-1) → (1,3-oxazol-2-yl)methanol (130551-92-7)

Guidance literature:

With sodium tetrahydroborate; ethanol; In ethanol; at 0 - 25 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b02078

upstream raw materials:

isoxazole-3-carboxylic acid methyl ester

Downstream raw materials:

(1,3-oxazol-2-yl)methanol