| Identification | Back Directory | [Name]
2-methyl-1,3-thiazole-5-carboxylic acid | [CAS]
40004-69-1 | [Synonyms]
RU-21933
5-Carboxy-2-methyl-1,3-thiazole
2-Methyl-5-thiazolecarboxylic acid
2-methylthiazole-5-carboxylic acid
5-Thiazolecarboxylicacid, 2-Methyl-
2-Methylthiazole-5-carboxylicAcid>
2-methyl-1,3-thiazole-5-carboxylic acid
2-methyl-1,3-thiazole-5-carboxylic acid(SALTDATA: FREE) | [Molecular Formula]
C5H5NO2S | [MDL Number]
MFCD01760300 | [MOL File]
40004-69-1.mol | [Molecular Weight]
143.17 |
| Chemical Properties | Back Directory | [Melting point ]
209 °C(Solv: water (7732-18-5)) | [Boiling point ]
301.2±15.0 °C(Predicted) | [density ]
1.418±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
3.78±0.10(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8) | [InChIKey]
QCXCIYPOMMIBHO-UHFFFAOYSA-N | [SMILES]
S1C(C(O)=O)=CN=C1C |
| Hazard Information | Back Directory | [Synthesis]
To a stirred solution of 2-methyl-thiazole-5-carboxylic acid ethyl ester (1.3 g, 8.0 mmol) in dioxane (12 mL) at room temperature was added NaOH (2N, 12 mL). After 1 h the reaction mixture was neutralized with HCl (IN, 12 mL), then filtered and the collected solid dried in vacuo to give 2-methyl-1,3-thiazole-5-carboxylic acid (758 mg, 70percent) as an off white solid.
| [References]
[1] Journal of the American Chemical Society, 2016, vol. 138, # 44, p. 14639 - 14649
[2] Patent: WO2010/127974, 2010, A1. Location in patent: Page/Page column 43; 44
[3] Patent: WO2018/160878, 2018, A1. Location in patent: Page/Page column 279
[4] Chemische Berichte, 1940, vol. 73, p. 1240,1252
[5] Australian Journal of Chemistry, 2004, vol. 57, # 6, p. 599 - 604 |
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