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

Base Information

• Chemical Name: Ethyl 2-(4-hydroxyphenyl)oxazole-4-carboxylate
• CAS No.: 200400-76-6
• Molecular Formula: C₁₂H₁₁NO₄
• Molecular Weight: 233.224
• Hs Code.: 2934999090
• European Community (EC) Number: 672-391-1
• DSSTox Substance ID: DTXSID80420702
• Wikidata: Q72475339
• Mol file: 200400-76-6.mol

Synonyms:200400-76-6;ethyl 2-(4-hydroxyphenyl)oxazole-4-carboxylate;Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate;Ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate;2-(4-Hydroxy-phenyl)-oxazole-4-carboxylic acid ethyl ester;Ethyl2-(4-hydroxyphenyl)oxazole-4-carboxylate;SCHEMBL3070077;AMY1750;DTXSID80420702;XILWQVZWGWQRNU-UHFFFAOYSA-N;4-Oxazolecarboxylic acid, 2-(4-hydroxyphenyl)-, ethyl ester;MFCD02183587;AKOS015843419;ethyl 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-oxazole-4-carboxylate;AB11532;AC-6425;AS-46710;CS-0172329;FT-0687240;E58685;Ethyl 2-(4-Hy droxyphenyl)oxazole-4-carboxylate;Q-102357;Ethyl 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,3-dihydro-1,3-oxazole-4-carboxylate

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

Chemical Property:

• Boiling Point: 399 °C at 760 mmHg
• PKA: 8.75±0.30(Predicted)
• Flash Point: 195.1 °C
• PSA: 72.56000
• Density: 1.27 g/cm³
• LogP: 2.22390
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 233.06880783
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

99%, ^*data from raw suppliers

2-(4-Hydroxy-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=C(C=C2)O

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

There total 2 articles about Ethyl 2-(4-hydroxyphenyl)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: 87.0%

oxazol (288-42-6) + ethyl Bromopyruvate (70-23-5) + p-hydroxybenzamide (619-57-8) → ethyl 2-(4-Hydroxyphenyl)oxazole-4-carboxylate (200400-76-6)

Guidance literature:

In ethyl acetate;

Reference yield:

ethyl Bromopyruvate (70-23-5) + p-hydroxybenzamide (619-57-8) → ethyl 2-(4-Hydroxyphenyl)oxazole-4-carboxylate (200400-76-6)

Guidance literature:

In ethanol; at 70 ℃; for 5h;

DOI:10.1016/j.bmc.2017.01.047

Reference yield:

ethyl 2-(4-Hydroxyphenyl)oxazole-4-carboxylate (200400-76-6) → C10H6ClNO3

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water; ethanol / 10 h / 20 °C

2: thionyl chloride / benzene / 4 h / Reflux

With thionyl chloride; sodium hydroxide; In ethanol; water; benzene;

DOI:10.1016/j.bmc.2017.01.047

upstream raw materials:

oxazol

ethyl Bromopyruvate

p-hydroxybenzamide

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