| Identification | More | [Name]
4-Methylthiazole-5-carboxylic acid | [CAS]
20485-41-0 | [Synonyms]
4-METHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID
4-METHYLTHIAZOLE-5-CARBOXYLATE
4-METHYLTHIAZOLE-5-CARBOXYLIC ACID
CHEMBRDG-BB 4402151
IFLAB-BB F2124-0222
TIMTEC-BB SBB010167
4-methyl-5-thiazolecarboxylicaci
4-methyl-5-thiazolecarboxylicacid | [EINECS(EC#)]
606-565-5 | [Molecular Formula]
C5H5NO2S | [MDL Number]
MFCD00626872 | [Molecular Weight]
143.16 | [MOL File]
20485-41-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
287 °C (dec.) (lit.) | [Boiling point ]
303.6±22.0 °C(Predicted) | [density ]
1.338 (estimate) | [refractive index ]
1.5480 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
DMSO | [form ]
solid | [pka]
1.16±0.31(Predicted) | [color ]
Off-White | [InChIKey]
ZGWGSEUMABQEMD-UHFFFAOYSA-N | [CAS DataBase Reference]
20485-41-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [RTECS ]
XJ3680000
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29341000 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powde | [Uses]
4-Methylthiazole-5-carboxylic acid is used as a reagent to synthesize thiazolylimidazolidinone compounds that act as Stearoyl-CoA desaturase-1 (SCD1) inhibitors. These SCD1 inhibitors are used in the treatment of metabolic diseases. 4-Methylthiazole-5-carboxylic acid is also used as a reagent to synthesize 4-Methyl-5-formylthiazole, an important intermediate in the synthesis of Cefditoren pivoxil (C242700). | [Definition]
ChEBI: 4-Methyl-thiazole-5-carboxylic acid is an aromatic carboxylic acid and a member of thiazoles. | [Synthesis]
A mechanical stirrer, thermometer and constant pressure dropping funnel were assembled in a 10 L glass reactor and 1 mole of phosphorus pentasulfide (P4S10) and 6 kg of ethylene glycol dimethyl ether were added as solvent under nitrogen protection. Under stirring conditions, 5 moles of formamide was slowly added dropwise and the reaction lasted for 2 hours. Subsequently, 5 moles of ethyl 2-chloroacetoacetate was added dropwise and the reaction was carried out at room temperature for 608 hours. Upon completion of the reaction, the reaction mixture was cooled to 10 °C and the white solid product was collected by filtration. The solid product was dissolved in 4 times its weight in water and the pH was adjusted to 7-8 with 20% sodium hydroxide solution. filtration at 0-5 °C gave ethyl 4-methylthiazole-5-carboxylate as a white solid with 99% purity and 95.8% molar yield. | [References]
[1] Patent: CN105130924, 2017, B. Location in patent: Paragraph 0021; 0022 |
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