Ethyl 2-Methylthiazole-4-carboxylate
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Ethyl 2-Methylthiazole-4-carboxylate
structure -
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CAS No:
6436-59-5
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Formula:
C7H9 N O2 S
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Chemical Name:
Ethyl 2-Methylthiazole-4-carboxylate
- Categories:
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CAS No:
Ethyl 2-Methylthiazole-4-carboxylate Basic Attributes
171.22
171.035400
159893
DTXSID40303668
29341000
Characteristics
67.4
1.9
light yellowto brownpowde
1.2±0.1 g/cm3
54-56°C
242.1°C at 760 mmHg
100.2±19.8 °C
1.528
Refrigerated.
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-37-24/25
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302+H312+H332
|Warning|H302+H312+H332 (16.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 2-Methylthiazole-4-carboxylate Use and Manufacturing
EtOH, 250 prom, 25 kHz, 2 ml/min, 1.5 hTo a stirred solution of thioacetamide 7 (2.12 g, 28.27 mmol) in EtOH (40.00 mL), ethyl bromopyruvate (3.40 mL, 25.70 mmol) was added and the reaction was stirred at 80 °C for 12 h. Solvent was removed under reduced pressure. The crude was purified by means of chromatography on silica gel (20 percent ethyl acetate in petroleum ether) to afford title compound (86 percent yield) as a yellow solid. ESI-MS m/z 172 [M+H]General procedure for the preparation of ethyl 2-methylthiazole-4-carboxylate (12a)
Computed Properties
Molecular Weight:171.22
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:171.03539970
Monoisotopic Mass:171.03539970
Topological Polar Surface Area:67.4
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 2-Methylthiazole-4-carboxylate
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