| Identification | More | [Name]
2-Methyl-1,3-thiazole-4-carboxylic acid | [CAS]
35272-15-2 | [Synonyms]
2-METHYL-1,3-THIAZOLE-4-CARBOXYLIC ACID
2-METHYL-THIAZOLE-4-CARBOXYLIC ACID
BUTTPARK 98\06-12
CHEMBRDG-BB 4400182
RARECHEM AL BO 0660
2-Methyl-Thiazole-4-Carboxylic
2-Methyl-1,3-thiazole-4-carboxylic acid ,97% | [EINECS(EC#)]
233-305-4 | [Molecular Formula]
C5H5NO2S | [MDL Number]
MFCD03407332 | [Molecular Weight]
143.16 | [MOL File]
35272-15-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
148 °C | [Boiling point ]
301.2±15.0 °C(Predicted) | [density ]
1.418±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
powder to crystal | [pka]
4.28±0.10(Predicted) | [color ]
White to Light yellow | [Detection Methods]
HPLC | [InChI]
1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8) | [InChIKey]
ZHDRDZMTEOIWSX-UHFFFAOYSA-N | [SMILES]
Cc1nc(cs1)C(O)=O | [CAS DataBase Reference]
35272-15-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
2 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29341000 | [Storage Class]
13 - Non Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
White to orange to tan solid | [Synthesis]
The general procedure for the synthesis of 2-methyl-4-thiazolecarboxylic acid using ethyl 2-methylthiazole-4-carboxylate as starting material is as follows:
1. dissolve ethyl 2-methylthiazole-4-carboxylate in tetrahydrofuran (THF).
2. add 10% (w/v) aqueous solution of potassium hydroxide (KOH) to the above solution.
3. The reaction mixture was stirred at room temperature until thin layer chromatography (TLC) showed complete disappearance of the raw material.
4. pH of the reaction solution was adjusted to 4 with 1 M hydrochloric acid (HCl).
5. The reaction solution was extracted with ethyl acetate (EtOAc). 6.
6. The organic phase was dried with anhydrous magnesium sulfate (MgSO?).
7. The organic phase was concentrated to give the target product 2-methyl-4-thiazolecarboxylic acid. | [References]
[1] European Journal of Medicinal Chemistry, 2017, vol. 126, p. 776 - 788
[2] Patent: US2007/105891, 2007, A1. Location in patent: Page/Page column 10
[3] Patent: US2006/160857, 2006, A1. Location in patent: Page/Page column 31
[4] Chemistry of Heterocyclic Compounds, 2011, vol. 47, # 6, p. 703 - 709
[5] Patent: WO2004/58702, 2004, A2. Location in patent: Page 29; 23 |
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