ChemicalBook--->CAS DataBase List--->40353-62-6

40353-62-6

40353-62-6 Structure

40353-62-6 Structure
IdentificationBack Directory
[Name]

CHEMBRDG-BB 9072017
[CAS]

40353-62-6
[Synonyms]

CHEMBRDG-BB 9072017
1-(2-Amino-5-methyl-4-thiazolyl)etha
1-(2-aMino-5-Methylthiazol-4-yl)ethanone
1-(2-Amino-5-methyl-4-thiazolyl)ethanone
Ethanone, 1-(2-amino-5-methyl-4-thiazolyl)-
1-(2-AMINO-5-METHYL-1,3-THIAZOL-4-YL)ETHANONE
1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethanone 1HCl
1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethanone(SALTDATA: HCl)
[Molecular Formula]

C6H8N2OS
[MDL Number]

MFCD08692000
[MOL File]

40353-62-6.mol
[Molecular Weight]

156.21
Chemical PropertiesBack Directory
[Boiling point ]

312.8±22.0 °C(Predicted)
[density ]

1.278±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

2.89±0.10(Predicted)
[Appearance]

Off-white to light yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H312-H315-H335-H302-H319-H332
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

1-(2-Amino-5-methylthiazol-4-yl)ethanone is a useful research intermediate for the preparation of aminothiazoles.
[Synthesis]

4-bromopentane-2,3-dione

21619-25-0

Carbamimidothioic acid

17356-08-0

CHEMBRDG-BB 9072017

40353-62-6

GENERAL METHOD: 4-Bromopentane-2,3-dione (1.79 g, 10.00 mmol) was dissolved in ethanol (50 mL), followed by the addition of thiourea (760 mg, 9.98 mmol). The reaction mixture was stirred at 100 °C for 1 h, after which it was cooled to room temperature. The product was separated by filtration to afford 1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethan-1-one as an off-white solid (1.2 g, 65% yield).LCMS (ESI) analysis showed [M + H]+ = 157.0.

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 19, p. 5879 - 5882
[2] Patent: WO2015/52226, 2015, A1. Location in patent: Paragraph 0353
[3] Journal of Medicinal Chemistry, 2016, vol. 59, # 6, p. 2760 - 2779
Spectrum DetailBack Directory
[Spectrum Detail]

CHEMBRDG-BB 9072017(40353-62-6)1HNMR
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