| Identification | Back Directory | [Name]
ETHYL 2-CHLORO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE | [CAS]
7238-62-2 | [Synonyms]
2-Chloro-4-methyl-5-ethoxycarbonylthiazole
ETHYL 2-CHLORO-4-METHYLTHIAZOLE-5-CARBOXYLATE
ETHYL 2-CHLORO-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate 97%
2-Chloro-4-methyl-5-thiazolecarboxylic acid ethyl ester
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate ,97%
2-Chloro-4-methylthiazole-5-carboxylic acid ethyl ester
5-Thiazolecarboxylic acid, 2-chloro-4-methyl-, ethyl ester | [EINECS(EC#)]
604-604-1 | [Molecular Formula]
C7H8ClNO2S | [MDL Number]
MFCD02956798 | [MOL File]
7238-62-2.mol | [Molecular Weight]
205.66 | [Uses]
Estrone is a metabolite of 17β-Estradiol (E888000). During the metabolism, it is in rapid equilibrium with Estriol (E888960) and 17β-Estradiol (E888000) (1). Causes the feminization of male fish at human and animal waste sites (2). This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants. |
| Chemical Properties | Back Directory | [Melting point ]
46 °C | [Boiling point ]
116℃ | [density ]
1.328±0.06 g/cm3(Predicted) | [storage temp. ]
Storage temp. -20°C | [pka]
-0.10±0.10(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Definition]
ChEBI: Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate is an aromatic carboxylic acid and a member of thiazoles. | [Synthesis]
Intermediate Example L; Synthesis of ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate (X-1): ethyl 2-oxo-4-methyl-3H-thiazole-5-carboxylate (0.57 g, 3.05 mmol) was mixed with phosphorus triclosan (5 mL) and heated to react for 18 hours at 120°C. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently concentrated under reduced pressure to remove excess phosphorous trichloride. Water (15 mL) was slowly added to the residue and stirred for 10 minutes. The aqueous phase was extracted with ether (3 x 15 mL), the organic phases were combined and dried over anhydrous magnesium sulfate. After filtration, the organic phase was concentrated under reduced pressure to give the crude product. The crude product was purified by column chromatography (ethyl acetate/hexane as eluent) to afford ethyl 2-chloro-4-methylthiazole-5-carboxylate as a white solid (0.54 g, 86% yield).1H NMR (400 MHz, CDCl3) δ 4.32 (q, J = 7.1 Hz, 2H), 2.68 (s, 3H), 1.35 (t, J = 7.1 Hz, 3H). 3H). | [References]
[1] Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 1621 - 1630
[2] Patent: WO2005/51890, 2005, A1. Location in patent: Page/Page column 67-68
[3] Proceedings - Indian Academy of Sciences, Section A, 1945, # 22, p. 362,376
[4] Patent: US5817829, 1998, A |
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