Ethyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate

Base Information

Chemical Name:Ethyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CAS No.:254749-12-7
Molecular Formula:C₁₃H₁₀F₃NO₃
Molecular Weight:285.223
Hs Code.:
DSSTox Substance ID:DTXSID801158173
Nikkaji Number:J2.392.829I

Synonyms:ethyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate;254749-12-7;Maybridge3_006108;SCHEMBL472899;DTXSID801158173;HMS1448F14;MFCD00105345;AKOS010897687;CCG-244902;IDI1_017495;Ethyl 5-(4-(trifluoromethyl)phenyl)oxazole-4-carboxylate;5-(4-Trifluoromethyl-phenyl)-oxazole-4-carboxylic acid ethyl ester;5-[4-(Trifluoromethyl)phenyl]oxazole-4-carboxylic acid ethyl ester;4-Oxazolecarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-, ethyl ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Ethyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:285.06127767
Heavy Atom Count:20
Complexity:340

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=C(OC=N1)C2=CC=C(C=C2)C(F)(F)F

Technology Process of Ethyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate

There total 3 articles about Ethyl 5-[4-(trifluoromethyl)phenyl]-1,3-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: 95.0%

: 2999-46-4
Ethyl isocyanoacetate

: 329-15-7
4-trifluoromethyl-phenyl acetyl chloride

: 254749-12-7
5-(4-trifluoromethylphenyl)oxazole-4-carboxylic acid ethyl ester

Guidance literature:: With substituted 1,3,2-diazaphosphorine on polystyrene-DVB; In acetonitrile;
DOI:10.1021/ol061975c

Reference yield: 63.0%

: 2999-46-4
Ethyl isocyanoacetate

: 79478-02-7
4-(trifluoromethyl)phenylglyoxylic acid

: 254749-12-7
5-(4-trifluoromethylphenyl)oxazole-4-carboxylic acid ethyl ester

Guidance literature:: 4-(trifluoromethyl)phenylglyoxylic acid; With potassium hydroxide; In isopropyl alcohol; Schlenk technique;

Ethyl isocyanoacetate; With dipotassium peroxodisulfate; 1,10-Phenanthroline; silver carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Schlenk technique; Inert atmosphere;
DOI:10.1039/c5cc02253c

Reference yield:

: 709-63-7
1-(4-trifluoromethylphenyl)ethanone

: 254749-12-7
5-(4-trifluoromethylphenyl)oxazole-4-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: selenium(IV) oxide / Schlenk technique

2.1: potassium hydroxide / isopropyl alcohol / Schlenk technique

2.2: 12 h / 80 °C / Schlenk technique; Inert atmosphere

With selenium(IV) oxide; potassium hydroxide; In isopropyl alcohol;
DOI:10.1039/c5cc02253c