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59608-97-8

Basic Information
CAS No.: 59608-97-8
Name: 2-Amino-4-chloromethythiazole hydrochloride
Article Data: 11
Molecular Structure:
Molecular Structure of 59608-97-8 (2-Amino-4-chloromethythiazole hydrochloride)
Formula: C4H5ClN2S.HCl
Molecular Weight: 185.077
Synonyms: 2-Thiazolamine,4-(chloromethyl)-, monohydrochloride (9CI);2-Amino-4-chloromethylthiazolemonohydrochloride;4-(Chloromethyl)-1,3-thiazol-2-ylamine hydrochloride;4-(Chloromethyl)-2-thiazolamine hydrochloride;4-(Chloromethyl)thiazol-2-ylamine hydrochloride;
EINECS: 690-456-2
Density: 1.455g/cm3
Melting Point: 141-143 °C(Solv: ethanol (64-17-5))
Boiling Point: 299.7 °C at 760 mmHg
Flash Point: 135 °C
Hazard Symbols: IrritantXi
Risk Codes: 43
Safety: 36/37
PSA: 67.15000
LogP: 2.84730
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Specification

IUPAC Name: 4-(chloromethyl)-1,3-thiazol-2-amine hydrochloride CAS Registry Number 59608-97-8  2-Thiazolamine, 4-(chloromethyl)-, monohydrochloride ; NSC 56821 ; 2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1) ; 2-Amino-4-(Chloromethy)thiazole HCl ; 2-Amino-4-(chloromethyl)-1,3-thiazole hydrochloride . It is a kind of thiazole.

The 2-Amino-4-chloromethythiazole hydrochloride can be obtained by thiourea and 1,3-dichloro-propan-2-one in the acetone at ambient temperature. The reaction time is 12 hours and the yield is 71.5 %.
 

The 2-Amino-4-chloromethythiazole hydrochloride can be used to synthesize other chemicals. For example: it can react with acetic acid anhydride to get N-(4-chloromethyl-thiazol-2-yl)-acetamide ; it reacts with thiocyanic acid; potassium salt to get 4-isothiocyanatomethyl-thiazol-2-ylamine ; it reacts with 5-nitro-3-piperidin-4-yl-1H-indole to get 4-[4-(5-nitro-1H-indol-3-yl)-piperidin-1-ylmethyl]-thiazol-2-ylamine ; it reacts with isobutyric acid anhydride to get N-(4-chloromethyl-thiazol-2-yl)-isobutyramide ; it reacts with trifluoroacetic acid anhydride to get N-(4-chloromethyl-thiazol-2-yl)-2,2,2-trifluoro-acetamide ; it reacts with carbonochloridic acid methyl ester to get (4-chloromethyl-thiazol-2-yl)-carbamic acid methyl ester ; it reacts with 4-methoxy-benzoic acid-anhydride to get N-(4-chloromethyl-thiazol-2-yl)-4-methoxy-benzamide .

The other characteristics of this product can be summarized as: (1)H bond acceptors: 2 ; (2)H bond donors: 2 ; (3)Freely Rotating Bonds: 1 ; (4)Enthalpy of Vaporization: 53.97 kJ/mol ; (5)Vapour Pressure: 0.00118 mmHg at 25°C. People can use the following data to convert to the molecule structure. SMILES: Cl.ClCc1nc(sc1)N; InChI: InChI=1/C4H5ClN2S.ClH/c5-1-3-2-8-4(6)7-3;/h2H,1H2,(H2,6,7);1H.