Ethyl 2-oxo-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 2-oxo-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole-5-carboxylate
• CAS No.: 72850-53-4
• Molecular Formula: C7H6 F3 N O3S
• Molecular Weight: 241.191
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID80382412
• Nikkaji Number: J1.164.190C
• Wikidata: Q82173763
• Mol file: 72850-53-4.mol

Synonyms:72850-53-4;ETHYL 2-OXO-4-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1,3-THIAZOLE-5-CARBOXYLATE;Ethyl 2-oxo-4-(trifluoromethyl)-2,3-dihydrothiazole-5-carboxylate;ethyl 2-oxo-4-(trifluoromethyl)-3H-1,3-thiazole-5-carboxylate;Ethyl 2,3-dihydro-2-oxo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate;SCHEMBL1930107;SCHEMBL9750672;DTXSID80382412;ETHYL 4-(TRIFLUOROMETHYL)-2-HYDROXYTHIAZOLE-5-CARBOXYLATE;MFCD03425775;AKOS005070468;AB55561;CS-0326508;FT-0641429;C90530;4T-0262;A837642;J-520784;ethyl 2-hydroxy-4-trifluoromethyl-5-thiazolecarboxylate;ethyl 2,3-dihydro-2-oxo-4-trifluoromethyl-5-thiazolcarboxylate;2-oxo-4-(trifluoromethyl)-3H-thiazole-5-carboxylic acid ethyl ester;ethyl 2,3-dihydro-2-oxo-4-trifluoromethyl-5-thiazole carboxylate;ethyl 2,3-dihydro-2-oxo-4-trifluoromethyl-5-thiazole-carboxylate;ETHYL 2-HYDROXY-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE;2-Oxo-4-(trifluoromethyl)-4-thiazoline-5-carboxylic acid ethyl ester;5-Thiazolecarboxylicacid,2,3-dihydro-2-oxo-4-(trifluoromethyl)-,ethylester;ethyl (2,3-dihydro-2-oxo-4-trifluoromethyl-thiazol-5-yl)-carboxylate;ethyl 2-oxidanylidene-4-(trifluoromethyl)-3H-1,3-thiazole-5-carboxylate;Ethyl 2-oxo-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole-5carboxylate;Ethyl2-oxo-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole-5-carboxylate

Chemical Property of Ethyl 2-oxo-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 2.82E-05mmHg at 25°C
• Melting Point: 122-124°C
• Boiling Point: 346.7°C at 760 mmHg
• Flash Point: 163.5°C
• PSA: 87.40000
• Density: 1.534g/cm³
• LogP: 1.63190
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 241.00204871
• Heavy Atom Count: 15
• Complexity: 337

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-oxo-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=O)S1)C(F)(F)F

Technology Process of Ethyl 2-oxo-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole-5-carboxylate

There total 4 articles about Ethyl 2-oxo-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole-5-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: 70.5%

chloro(chlorosulfanyl)methanone (2757-23-5) + ethyl 3-amino-4,4,4-trifluoro-2-butenoate (372-29-2,141860-78-8) → ethyl 2,3-dihydro-2-oxo-4-trifluoromethyl-5-thiazole-carboxylate (72850-53-4) + diethyl 2,5-bis(trifluoromethyl)-3,4-pyrroledicarboxylate (88149-57-9) + diethyl 3,5-bis(trifluoromethyl)-2H-1,4-thiazine-2,6-dicarboxylate (87613-21-6)

Guidance literature:

In chlorobenzene; Yields of byproduct given; 1.) 70 deg C, 17 h, 2.) 80 deg C, 2 h, 3.) 90 deg C, 2 h;;

Reference yield: 67.0%

ethyl 3-amino-4,4,4-trifluorocrotonate (141860-78-8) + chloro(chlorosulfanyl)methanone (2757-23-5) → ethyl 2,3-dihydro-2-oxo-4-trifluoromethyl-5-thiazole-carboxylate (72850-53-4)

Guidance literature:

In chlorobenzene; for 24h; Heating;

DOI:10.1016/j.jfluchem.2006.02.010

Reference yield: 55.0%

chloro(chlorosulfanyl)methanone (2757-23-5) + ethyl 3-amino-4,4,4-trifluoro-2-butenoate (372-29-2,141860-78-8) → ethyl 2,3-dihydro-2-oxo-4-trifluoromethyl-5-thiazole-carboxylate (72850-53-4)

Guidance literature:

In chlorobenzene; at 135 ℃; for 2h;

upstream raw materials:

chloro(chlorosulfanyl)methanone

ethyl 3-amino-4,4,4-trifluoro-2-butenoate

ethyl 3-amino-4,4,4-trifluorocrotonate

Downstream raw materials:

ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate

2-chloro-4-trifluoromethyl-thiazole-5-carboxylic acid phenyl ester

benzyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate

2-chloro-4-trifluoromethyl-thiazole-5-carboxylic acid 4-chloro-phenyl ester