ChemicalBook--->CAS DataBase List--->7036-04-6

7036-04-6

7036-04-6 Structure

7036-04-6 Structure
IdentificationMore
[Name]

4-Hydroxymethylthiazole
[CAS]

7036-04-6
[Synonyms]

1,3-THIAZOL-4-YLMETHANOL
4-HYDROXYMETHYLTHIAZOLE
THIAZOLE-4-METHANOL
4-(Hydroxymethyl)-1,3-thiazole
4-(Hydroxymethyl)-1,3-thiazole 95%
4-Thiazolemethanol
[Molecular Formula]

C4H5NOS
[MDL Number]

MFCD04115728
[Molecular Weight]

115.15
[MOL File]

7036-04-6.mol
Chemical PropertiesBack Directory
[Melting point ]

112-114 °C(Solv: ethyl ether (60-29-7); ethanol (64-17-5))
[Boiling point ]

85-90/0.5mm
[density ]

1.339±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

liquid
[pka]

13.21±0.10(Predicted)
[color ]

colourless
[InChI]

InChI=1S/C4H5NOS/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
[InChIKey]

WQVOUANKVCYEIQ-UHFFFAOYSA-N
[SMILES]

S1C=C(CO)N=C1
[CAS DataBase Reference]

7036-04-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

37/38-41
[Safety Statements ]

26-39
[Hazard Note ]

Irritant
[HS Code ]

2934100090
Hazard InformationBack Directory
[Chemical Properties]

Off-yellow oily liquid
[Synthesis]

ETHYL THIAZOLE-4-CARBOXYLATE

14527-43-6

4-Hydroxymethylthiazole

7036-04-6

The general procedure for the synthesis of 4-hydroxymethylthiazole from ethyl 4-thiazolecarboxylate was as follows: - Lithium aluminum hydride (1M tetrahydrofuran solution, 1.5 mL) was slowly added dropwise to a stirred tetrahydrofuran solution (4 mL) of ethyl 4-thiazolecarboxylate (224 mg) at 0 °C. - The reaction mixture was naturally warmed to room temperature with stirring for 1 hour. - Ethyl acetate (20 mL), water (1 mL), 2M sodium hydroxide solution (2 mL), and water (3 mL) were added sequentially to the reaction mixture. - The precipitate formed was removed by filtration through diatomaceous earth (iT). - The filtrate was concentrated to give 4-hydroxymethylthiazole (150 mg, 92% yield). - Nuclear magnetic resonance hydrogen spectroscopy (DMSO-d6) data: δ 4.12 (s, 2H), 7.47 (s, 1H), 9.03 (s, 1H).

[References]

[1] Patent: WO2005/61465, 2005, A1. Location in patent: Page/Page column 62
[2] European Journal of Medicinal Chemistry, 2018, vol. 154, p. 367 - 391
Spectrum DetailBack Directory
[Spectrum Detail]

4-Hydroxymethylthiazole(7036-04-6)1HNMR
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