Ethyl 2-(4-methoxyphenyl)oxazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(4-methoxyphenyl)oxazole-4-carboxylate
• CAS No.: 78979-61-0
• Molecular Formula: C13H13 N O4
• Molecular Weight: 247.251
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40508813
• Nikkaji Number: J3.040.154I
• Wikidata: Q82365987
• Mol file: 78979-61-0.mol

Synonyms:78979-61-0;ETHYL 2-(4-METHOXYPHENYL)OXAZOLE-4-CARBOXYLATE;2-(4-METHOXY-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;ethyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate;2-(4-methoxyphenyl)-4-oxazolecarboxylic acid ethyl ester;SCHEMBL17055727;DTXSID40508813;AB27358;FT-0752944;A839541;2-(4-Methoxyphenyl)oxazole-4-carboxylicacidethylester;ETHYL2-(4-METHOXYPHENYL)OXAZOLE-4-CARBOXYLATE;2-(4-methoxyphenyl)oxazole-4-carboxylic acid ethyl ester;4-Oxazolecarboxylic acid, 2-(4-methoxyphenyl)-, ethyl ester

Chemical Property of Ethyl 2-(4-methoxyphenyl)oxazole-4-carboxylate

Chemical Property:

• PSA: 61.56000
• LogP: 2.52690
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 247.08445790
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-(4-methoxyphenyl)oxazole-4-carboxylate 95+% ^*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=C(C=C2)OC

Technology Process of Ethyl 2-(4-methoxyphenyl)oxazole-4-carboxylate

There total 11 articles about Ethyl 2-(4-methoxyphenyl)oxazole-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: 97.0%

ethyl Bromopyruvate (70-23-5) + 4-methoxyphenylacetamide (3424-93-9) → ethyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate (78979-61-0)

Guidance literature:

With silver hexafluoroantimonate; In 1,2-dichloro-ethane; at 90 ℃; for 2h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/jo1025332

Reference yield: 88.0%

oxazole-4-carboxylic acid ethyl ester (23012-14-8) + para-iodoanisole (696-62-8) → ethyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate (78979-61-0)

Guidance literature:

With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; CyJohnPhos; In 1,4-dioxane; at 110 ℃; for 18h; regioselective reaction; Inert atmosphere;

DOI:10.1002/chem.201101615

Reference yield: 80.0%

oxazole-4-carboxylic acid ethyl ester (23012-14-8) + para-iodoanisole (696-62-8) → C20H19NO5 (1055195-16-8) + ethyl 2-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate (78979-61-0)

Guidance literature:

With palladium diacetate; caesium carbonate; tris-(o-tolyl)phosphine; In Diethyl carbonate; at 110 ℃; for 18h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c0gc00229a

upstream raw materials:

(S)-2-(4-Methoxy-phenyl)-oxazolidine-4-carboxylic acid ethyl ester

ethyl L-serinate

4-methoxy-benzaldehyde

oxazole-4-carboxylic acid ethyl ester

Downstream raw materials:

ethyl 2-(4-methoxyphenyl)-5-phenyloxazole-4-carboxylate

ethyl 2-(4-cyanophenyl)-5-phenyloxazole-4-carboxylate

2-(4-methoxyphenyl)oxazole-4-carbonyl chloride

2-(4-methoxyphenyl)oxazolo[4,5-c]quinolin-4(5H)-one