Ethyl oxazole-2-carboxylate

Base Information

• Chemical Name: Ethyl oxazole-2-carboxylate
• CAS No.: 33036-67-8
• Molecular Formula: C₆H₇NO₃
• Molecular Weight: 141.126
• Hs Code.: 2934999090
• European Community (EC) Number: 815-035-4
• DSSTox Substance ID: DTXSID00594116
• Wikidata: Q72476433
• Mol file: 33036-67-8.mol

Synonyms:ETHYL OXAZOLE-2-CARBOXYLATE;33036-67-8;ethyl 1,3-oxazole-2-carboxylate;Ethyl 2-oxazolecarboxylate;2-Oxazolecarboxylicacid, ethyl ester;MFCD04114939;2-Oxazolecarboxylic Acid Ethyl Ester;2-OXAZOLECARBOXYLIC ACID, ETHYL ESTER;Oxazole-2-carboxylic acid ethyl ester;Ethyloxazole-2-carboxylate;SCHEMBL2422303;DTXSID00594116;AKOS006280725;AB19317;AC-27280;DS-17063;SY015034;DB-011545;AM20090498;CS-0044018;A23456;J-521274

Chemical Property of Ethyl oxazole-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.452mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 193.976 °C at 760 mmHg
• PKA: -1.80±0.10(Predicted)
• Flash Point: 71.115 °C
• PSA: 52.33000
• Density: 1.177g/cm³
• LogP: 0.85130
• Storage Temp.: 2-8°C
• Solubility.: Acetone, Chloroform, Methanol
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 141.042593085
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

2-OxazolecarboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC=CO1
• Uses: 2-Oxazolecarboxylic Acid Ethyl Ester is an intermediate in synthesizing 4-Bromooxazole-2-carboxylic Acid (B686295), which is used in the preparation of heteroaryl-substituted 2-pyridinylmethylamine derivs. as selective 5-HT1A modulators.

Technology Process of Ethyl oxazole-2-carboxylate

There total 1 articles about Ethyl 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:

ethyl isoxazole-3-carboxylate (3209-70-9) → ethyl oxazole-2-carboxylate (33036-67-8)

Guidance literature:

In diethyl ether; Irradiation;

DOI:10.1039/j39710001196

Reference yield: 93.0%

ethyl oxazole-2-carboxylate (33036-67-8) → (1,3-oxazol-2-yl)methanol (130551-92-7)

Guidance literature:

With methanol; lithium borohydride; at 0 - 25 ℃; for 3h; Inert atmosphere;

Reference yield: 82.0%

ethyl oxazole-2-carboxylate (33036-67-8) → oxazole-2-carbothioic acid amide (884539-45-1)

Guidance literature:

With ammonia; In water;

upstream raw materials:

ethyl isoxazole-3-carboxylate

Downstream raw materials:

oxazole-2-carbohydrazide

oxazole-2-carbothioic acid amide

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