ChemicalBook--->CAS DataBase List--->344-72-9

344-72-9

344-72-9 Structure

344-72-9 Structure
IdentificationMore
[Name]

2-AMINO-4-TRIFLUOROMETHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
[CAS]

344-72-9
[Synonyms]

NSC 4465
AKOS B029496
BUTTPARK 11\03-53
TIMTEC-BB SBB005528
Ethyl 2-amino-4-(trifluoromethyl)
Ethyl-2-amino-4-trifluoromethylthiazolecarboxylate
2-AMINO-4-(TRIFLUOROMETHYL)-5-(CARBETHOXY)THIAZOLE
ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)-5-THIAZOLECARBOXY
ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)-5-THIAZOLECARBOXYLATE
ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAXOLE-5-CARBOXYLATE
ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE
Ethyl2-amino-4-(trifluoromethyl)-5-thiazolecarboxylate97%
Ethyl 2-amino-4-(trifluoromethyl)-5-thiazolecarboxylate 97%
ETHYL 2-AMINO-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLATE
2-amino-4-(trifluoromethyl)-5-thiazolecarboxylicaciethylester
2-amino-4-(trifluoromethyl)-5-thiazolecarboxylicacidethylester
2-AMINO-4-TRIFLUOROMETHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate 97%
5-Thiazolecarboxylicacid, 2-aMino-4-(trifluoroMethyl)-, ethyl ester
JR-6609, Ethyl 2-amino-4-(trifluoromethyl)thiazole-5-carboxylate, 97%
6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid methyl ester
[Molecular Formula]

C7H7F3N2O2S
[MDL Number]

MFCD00153147
[Molecular Weight]

240.2
[MOL File]

344-72-9.mol
Chemical PropertiesBack Directory
[Melting point ]

170 °C
[Boiling point ]

81.4°C (rough estimate)
[density ]

1.479
[storage temp. ]

2-8°C, protect from light
[pka]

0.08±0.10(Predicted)
[Appearance]

White to light yellow Solid
[CAS DataBase Reference]

344-72-9(CAS DataBase Reference)
[EPA Substance Registry System]

5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester (344-72-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[HazardClass ]

IRRITANT
[HS Code ]

2934100090
[Toxicity]

LDLo ivn-mus: 75 mg/kg CBCCT* 6,142,54
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 28, p. 907, 1991 DOI: 10.1002/jhet.5570280412
[Safety Profile]

Poison by intravenous route.When heated to decomposition it emits toxic vapors ofNOx and SOx.
[Synthesis]

Ethyl 2-chloro-4,4,4-trifluoroacetoacetate

363-58-6

Carbamimidothioic acid

17356-08-0

2-AMINO-4-TRIFLUOROMETHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

344-72-9

Step 1: Synthesis of ethyl 2-amino-4-trifluoromethylthiazole-5-carboxylate (A-31) To an ethanol (200 mL) suspension of thiourea (3.3 g, 22.88 mmol) was added ethyl 2-chloro-4,4,4-trifluoroacetoacetate (5 g, 22.88 mmol), and the resulting reaction mixture was heated at 80 °C for 24 hours. Subsequently, the reaction mixture was cooled to room temperature and concentrated under vacuum. The crude product was purified by column chromatography to afford ethyl 2-amino-4-trifluoromethylthiazole-5-carboxylate (A-31) as a colorless oil (5.98 g, 85% yield). 1H NMR (500 MHz, CDCl3) δ 4.32 (q, 2H, J = 7.0 Hz), 3.56 (m, 4H), 1.70 (m, 6H), 1.36 (t, 3H, J = 7.0 Hz); LCMS (ESI) [M + 1]+ 309.3.

[References]

[1] Journal of Heterocyclic Chemistry, 2017, vol. 54, # 6, p. 3395 - 3402
[2] Journal of Heterocyclic Chemistry, 2017, vol. 54, # 2, p. 1625 - 1629
[3] Patent: WO2010/59606, 2010, A2. Location in patent: Page/Page column 169
[4] Tetrahedron Letters, 2005, vol. 46, # 13, p. 2251 - 2252
[5] Patent: US2004/138268, 2004, A1. Location in patent: Page/Page column 15
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-4-TRIFLUOROMETHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER(344-72-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

344-72-9(sigmaaldrich)
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344-72-9