4-(CHLOROMETHYL)-2-METHYL-1,3-THIAZOLE Chemical Properties

Melting point:

160-165°C (dec.)

Boiling point:

217℃

Density 

1.271

refractive index 

1.5440

Flash point:

85℃

storage temp. 

Inert atmosphere,Store in freezer, under -20°C

form 

oil

color 

Clear, faint green/faint orange

BRN 

108603

InChI

InChI=1S/C5H6ClNS/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3

InChIKey

AQBBZYVPKBIILN-UHFFFAOYSA-N

SMILES

S1C=C(CCl)N=C1C

CAS DataBase Reference

39238-07-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,C

Risk Statements 

34-36/37

Safety Statements 

26-27-36/37/39-45-23

RIDADR 

3261

Hazard Note 

Irritant

HazardClass 

8

PackingGroup 

III

HS Code 

2934100090

4-(CHLOROMETHYL)-2-METHYL-1,3-THIAZOLE Usage And Synthesis

Synthesis

A solution of 1,3-dichloropropan-2-one (12.7 g) and thioacetamide (7.5 g) in dry ethanol (70 mL) was heated to reflux stirring under argon for 5.5 hours in a dry 1 liter reactor. At the end of the reaction the reaction mixture was cooled to room temperature and then concentrated under reduced pressure, the resulting dark crystalline residue was dissolved in water (250 mL) and solid NaHCO3 was slowly added to the above aqueous solution to give a pH ?? 8 to the crude system, the mixture was then extracted with Et2O (4 x 100 mL) and the combined organic solutions were dried over anhydrous MgSO4. drying process. The desiccant was removed by filtration and the resulting filtrate was concentrated under vacuum, and finally the residue was purified by distillation under reduced pressure (0.05 Torr) to give the target molecule 4-(chloromethyl)-2-methyl-1,3-thiazole.

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