2-(2-Bromo-phenyl)-oxazole-4-carboxylic acid ethyl ester

Base Information

• Chemical Name: 2-(2-Bromo-phenyl)-oxazole-4-carboxylic acid ethyl ester
• CAS No.: 885274-67-9
• Molecular Formula: C₁₂H₁₀BrNO₃
• Molecular Weight: 296.12
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20695851
• Wikidata: Q82625197
• Mol file: 885274-67-9.mol

Synonyms:885274-67-9;2-(2-BROMO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;ETHYL 2-(2-BROMOPHENYL)OXAZOLE-4-CARBOXYLATE;ethyl 2-(2-bromophenyl)-1,3-oxazole-4-carboxylate;Ethyl2-(2-bromophenyl)oxazole-4-carboxylate;DTXSID20695851;MFCD06738618;AB27496;CS-0342829;FT-0759616;A862014;2-(2-bromophenyl)-oxazole-4-carboxylic acid ethyl ester;4-Oxazolecarboxylic acid, 2-(2-bromophenyl)-, ethyl ester

Chemical Property of 2-(2-Bromo-phenyl)-oxazole-4-carboxylic acid ethyl ester

Chemical Property:

• PSA: 52.33000
• LogP: 3.28080
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 294.98441
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

97% ^*data from raw suppliers

2-(2-Bromo-phenyl)-oxazole-4-carboxylicacidethylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=COC(=N1)C2=CC=CC=C2Br

Technology Process of 2-(2-Bromo-phenyl)-oxazole-4-carboxylic acid ethyl ester

There total 1 articles about 2-(2-Bromo-phenyl)-oxazole-4-carboxylic acid ethyl ester 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 Bromopyruvate (70-23-5) + 2-Bromobenzamide (4001-73-4) → ethyl 2-(2-bromophenyl)-1,3-oxazole-4-carboxylate (885274-67-9)

Guidance literature:

With silver hexafluoroantimonate; In dichloromethane; at 90 ℃; for 1h; under 3750.38 Torr; Sealed tube; Microwave irradiation;

DOI:10.1021/acs.jmedchem.5b01493

Reference yield:

ethyl 2-(2-bromophenyl)-1,3-oxazole-4-carboxylate (885274-67-9) → 2-(2-bromophenyl)-1,3-oxazole-4-carbohydroxamic acid

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium hydroxide / tetrahydrofuran; water / 0.5 - 4 h / 20 °C

1.2: pH 4

2.1: chloroformic acid ethyl ester; 4-methyl-morpholine / tetrahydrofuran / 0.17 h / 0 °C / Inert atmosphere

2.2: 0.5 h / 20 °C / Inert atmosphere

With 4-methyl-morpholine; chloroformic acid ethyl ester; lithium hydroxide; In tetrahydrofuran; water;

DOI:10.1021/acs.jmedchem.5b01493

upstream raw materials:

ethyl Bromopyruvate

2-Bromobenzamide

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