Ethyl 2-chlorooxazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-chlorooxazole-4-carboxylate
• CAS No.: 460081-18-9
• Molecular Formula: C6H6 Cl N O3
• Molecular Weight: 175.572
• Hs Code.: 2934999090
• European Community (EC) Number: 672-911-7
• DSSTox Substance ID: DTXSID80963482
• Nikkaji Number: J1.819.698K
• Wikidata: Q72473730
• Mol file: 460081-18-9.mol

Synonyms:E-2-COA-C;ethyl 2-chlorooxazole-4-carboxylate

Chemical Property of Ethyl 2-chlorooxazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.0176mmHg at 25°C
• Melting Point: 97-98℃
• Boiling Point: 254.1°C at 760 mmHg
• PKA: -3.20±0.10(Predicted)
• Flash Point: 107.5°C
• PSA: 52.33000
• Density: 1.332g/cm³
• LogP: 1.50470
• Storage Temp.: Keep Cold
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 175.0036207
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-chloroxazole-4-carboxylate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=COC(=N1)Cl

Technology Process of Ethyl 2-chlorooxazole-4-carboxylate

There total 4 articles about Ethyl 2-chlorooxazole-4-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: 95.0%

C11H11N2O3(1+)*BF4(1-) → ethyl 2-chloro-1,3-oxazole-4-carboxylate (460081-18-9)

Guidance literature:

With magnesium chloride; In acetonitrile; at 80 ℃; Reagent/catalyst; Solvent; Temperature;

DOI:10.1038/s41557-021-00812-0

Reference yield: 90.0%

ethyl 2-aminooxazole-4-carboxylate (177760-52-0) → ethyl 2-chloro-1,3-oxazole-4-carboxylate (460081-18-9)

Guidance literature:

With pyrylium tetrafluoroborate; magnesium chloride; In acetonitrile; at 120 ℃; for 16h; Solvent; Sealed tube;

DOI:10.1038/s41557-021-00812-0

Reference yield:

ethyl Bromopyruvate (70-23-5) → ethyl 2-chloro-1,3-oxazole-4-carboxylate (460081-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 °C

2: 83 percent / t-BuONO; CuCl₂ / acetonitrile / 2 h / 80 °C

With tert.-butylnitrite; copper dichloride; In acetonitrile;

DOI:10.1021/ol0262800

upstream raw materials:

ethyl 2-aminooxazole-4-carboxylate

ethyl Bromopyruvate

tert.-butylnitrite

copper(II) chloride

Downstream raw materials:

2-vinyloxazole-4-carboxylic acid ethyl ester

ethyl 2-(pyridin-2-yl)oxazole-4-carboxylate

2-phenyl-oxazole-4-carboxylic acid ethyl ester

5-chloro-2-phenyl-oxazole-4-carboxylic acid ethyl ester