Chemical Products Ethyl thiazole-5-carboxylate Safety Information

CAS No:32955-22-9
Formula:C6H7NO2S
Synonyms:RARECHEM AL BI 1261;ETHYL THIAZOLE-5-CARBOXYLATE;ETHYL 1,3-THIAZOLE-5-CARBOXYLATE;Ethyl 1,3-thiazole-5-carboxylate 98%;5-Thiazolecarboxylic acid, ethyl ester;Thiazole-5-carboxylic acid ethyl ester;Ethyl 5-thiazolecarboxylate;5-(Ethoxycarbonyl)-1,3-thiazole

Chemical Products Ethyl thiazole-5-carboxylate Basic Attributes
CAS No:32955-22-9

Molecular Formula :C6H7NO2S

Molecular Mass :157.19

Exact Mass :157.019745

PSA :67.4 A^2

LogP :1.5

InChIKeys :CIPMPQGRFNDLAP-UHFFFAOYSA-N

H-bond Acceptor :4

H-bond Donor :0

SP3 :0.33

RBN :3

Chemical Products Ethyl thiazole-5-carboxylate Characteristics
Density :1.2±0.1 g/cm3

Bolling Point :235.7°C at 760 mmHg

Flash Point :96.4±19.8 °C

Refractive Index :1.531

Storage Condition :Keep Cold

Chemical Products Ethyl thiazole-5-carboxylate Safety Information
HS Code :2934100090

Dangerous Mark :Xi

Hazard Note :Irritant/Keep Cold

Chemical Products Ethyl thiazole-5-carboxylate Production Methods
C. 5-(Hydroxymethyl)thiazole To a precooled (ice bath) three neck 500 mL flask containing lithium aluminum hydride (2.89 g, 76 mmol) in 250 mL of THF was added P. 5-(Hydroxymethyl)thiazole To a precooled (ice bath) three neck 500 mL flask containing lithium aluminum hydride (76 mmol) in 250 mL of THF was added K. 5-(Hydroxymethyl)thiazole To a precooled (ice bath) three neck 500 mL flask containing lithium aluminum hydride (76 mmol) in 250 mL of THF was added K. 5-(Hydroxymethyl)thiazole. To a precooled (ice bath) three neck 500 mL flask containing lithium aluminum hydride (76 mmol) in 250 mL of THF was added D. 5-(Hydroxymethyl)thiazole To a precooled (ice bath) three neck 500 mL flask containing lithium aluminum hydride (76 mmol) in 250 mL of THF was added Example 23D 5-(Hydroxymethyl)thiazole To a slurry of lithium aluminum hydride (9.0 g) in THF (633 mL) was added a solution of crude 5-(ethoxycarbonyl)thiazole (65.6 g from Example 37C) in THF (540 mL) over 95 minutes at 0-5 C. After an additional 25 minutes, the reaction was quenched at 5 C. by sequential addition of water (8.1 mL), 15% NaOH (8.1 mL), and water (24.3 mL). After drying with Na2 SO4 (44 g) for 2 hours, the slurry was filtered, and the filter cake was washed with 100 mL THF. The combined filtrates were concentrated under vacuum at 45 C. to a brown oil (39 g). The oil was fractionally distilled through a short-path apparatus. The product fractions distilled at 97-104 C. vapor temperature at 3-5 mm, providing 20.5 g of the title compound as a turbid orange oil. 1 H NMR (CDCl3) delta8.74 (s, 1H), 7.72 (s, 1H), 4.89 (s, 2H), 3.4 (br s, 1H, OH). 13 C NMR (CDCl3) delta153.4, 140.0, 139.5, 56.6.EXAMPLE 26D 5-(Hydroxymethyl)thiazole To a slurry of lithium aluminum hydride (9.0 g) in THF (633 mL) was added a solution of crude 5-(ethoxycarbonyl)thiazole (65.6 g) in THF (540 mL) over 95 minutes at 0-5 C. After an additional 25 minutes, tile reaction was quenched at 5 C. by sequential addition of water (8.1 mL), 15% NaOH (8.1 mL), and water (24.3 mL).

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