ChemicalBook--->CAS DataBase List--->942631-51-8

942631-51-8

942631-51-8 Structure

942631-51-8 Structure
IdentificationBack Directory
[Name]

5-AMINOTHIAZOLE HCL
[CAS]

942631-51-8
[Synonyms]

Thiazol-5-ylaMine
5-Thiazolamine HCl
5-AMINOTHIAZOLE HCL
5-Aminothiazole hydrochloride
thiazol-5-aMine hydrochloride
Thiazol-5-ylamine hydrochloride
1,3-thiazol-5-amine hydrochloride
[Molecular Formula]

C3H5ClN2S
[MDL Number]

MFCD10687116
[MOL File]

942631-51-8.mol
[Molecular Weight]

136.6
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C3H4N2S.ClH/c4-3-1-5-2-6-3;/h1-2H,4H2;1H
[InChIKey]

WFJPRXNQDKBTPT-UHFFFAOYSA-N
[SMILES]

S1C(N)=CN=C1.Cl
Safety DataBack Directory
[Symbol(GHS) ]


GHS05,GHS07,GHS02
[Signal word ]

Danger
[Hazard statements ]

H302+H312+H332-H314-H226
[Precautionary statements ]

P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[HS Code ]

2934100090
Spectrum DetailBack Directory
[Spectrum Detail]

5-AMINOTHIAZOLE HCL(942631-51-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

tert-butyl thiazol-5-ylcarbamate

942631-50-7

5-AMINOTHIAZOLE HCL

942631-51-8

General procedure for the synthesis of 5-aminothiazole hydrochloride from tert-butyl thiazole-5-carbamate: To a stirred solution of tert-butyl thiazole-5-carbamate (379, 300 mg, 1.5 mmol) in methanol (5 mL), protected by argon at 0°C, a 1,4-dioxane solution (5 mL) in 4N HCl was slowly added. The reaction mixture was gradually warmed up to room temperature and stirring was continued for 3 hours. The reaction process was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the volatile solvent was removed under reduced pressure to give the crude product. The crude product was washed with n-pentane (2 × 5 mL) and subsequently dried under reduced pressure to afford 5-aminothiazole hydrochloride (380, 150 mg, HCl salt) as a light yellow solid.TLC conditions: 50% ethyl acetate/hexane (Rf 0.1); 1H-NMR (DMSO-d6, 500 MHz) data: δ 9.10 (s, 1H), 7.22 (s. 1H).

[References]

[1] Patent: WO2007/71955, 2007, A1. Location in patent: Page/Page column 47
[2] Patent: WO2014/41175, 2014, A1. Location in patent: Page/Page column 55
[3] Patent: WO2015/138895, 2015, A1. Location in patent: Paragraph 000310
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