| Identification | Back Directory | [Name]
5-bromo-4-methylthiazole | [CAS]
111600-83-0 | [Synonyms]
5-bromo-4-methylthiazole
4-methyl-5-bromothiazole
Thiazole, 5-broMo-4-Methyl
5-Bromo-4-methyl-1,3-thiazole | [Molecular Formula]
C4H4BrNS | [MDL Number]
MFCD12026322
| [MOL File]
111600-83-0.mol | [Molecular Weight]
178.05 |
| Chemical Properties | Back Directory | [Melting point ]
138 °C | [Boiling point ]
207.3±20.0 °C(Predicted) | [density ]
1.702±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
liquid | [pka]
2.21±0.10(Predicted) | [color ]
Brown | [InChI]
InChI=1S/C4H4BrNS/c1-3-4(5)7-2-6-3/h2H,1H3 | [InChIKey]
IIMLZWMRQNCPTM-UHFFFAOYSA-N | [SMILES]
S1C(Br)=C(C)N=C1 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 4-methyl-5-bromothiazole from 4-methylthiazole: 4-methylthiazole (200 μL, 2.2 mmol) was mixed with bromine (112 μL, 2.2 mmol) in acetic acid (2 mL), and the reaction system needed to be protected from light, and the reaction was stirred for 16 hours at room temperature. Upon completion of the reaction, the reaction mixture was washed with 10% aqueous sodium carbonate solution and subsequently extracted with ethyl acetate. The organic phase was washed with saturated brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure to afford the target product 4-methyl-5-bromothiazole (0.085 g, 22% yield). Its nuclear magnetic resonance hydrogen spectrum (1H NMR, 400 MHz, CDCl3) data were as follows: δ 2.45 (3H, s), 8.69 (1H, s). | [References]
[1] Patent: WO2008/36579, 2008, A1. Location in patent: Page/Page column 26
[2] Patent: WO2003/93252, 2003, A1. Location in patent: Page/Page column 85 |
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