4-Methylthiazole-5-carboxaldehyde Chemical Properties

Melting point:

74-78 °C (lit.)

Boiling point:

118°C/21mmHg(lit.)

Density 

1.270±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

form 

powder to crystal

pka

1.53±0.10(Predicted)

color 

White to Light yellow to Light orange

Water Solubility 

Slightly soluble in water.

InChI

InChI=1S/C5H5NOS/c1-4-5(2-7)8-3-6-4/h2-3H,1H3

InChIKey

JJVIEMFQPALZOZ-UHFFFAOYSA-N

SMILES

S1C(C=O)=C(C)N=C1

LogP

0.320 (est)

CAS DataBase Reference

82294-70-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

41-43

Safety Statements 

26-39

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29341000

MSDS

• Language:English Provider:SigmaAldrich

4-Methylthiazole-5-carboxaldehyde Usage And Synthesis

Uses

4-Methylthiazole-5-carboxaldehyde is used as pharmaceutical intermediate.

Synthesis

General procedure for the synthesis of 4-methyl-5-thiazolecarboxaldehyde from 2-amino-4-methylthiazole-5-carboxaldehyde: A solution of tetrahydrofuran (THF, 3 mL) with amine 2 (5 mmol) was slowly added dropwise over a period of 20 min to a solution of tetrahydrofuran (THF, 3 mL) containing tert-butyl nitrite (t-BuONO, 7.5 mmol) and dimethylsulfoxide (DMSO, 0.5 mmol) in a solution of THF (7 mL). The reaction mixture was stirred continuously at 30°C until complete consumption of feedstock 2 was confirmed by thin layer chromatography (TLC) monitoring. Subsequently, the solvent was removed by evaporation and the yield of the low-boiling products was determined by gas chromatography (GC); the high-boiling products were separated and purified by silica gel column chromatography (eluent: hexane/ethyl acetate solvent mixture).

References

[1] Journal of Chemical Research, 2018, vol. 42, # 11, p. 579 - 583

4-Methylthiazole-5-carboxaldehyde (82294-70-0)Related Product Information

• Methyl acetate
• Paraquat dichloride
• Methylchloroisothiazolinone/methylisothiazolinone mixture (MCIT/MIT)
• N,N-Dimethylformamide
• Acetonitrile
• Methylparaben
• Kresoxim-methyl
• 4-(Trifluoromethyl)benzaldehyde
• Basic Violet 1
• Methanol
• 4-Methylthiazole
• Fosthiazate
• 4-Dimethylaminobenzaldehyde
• p-Tolualdehyde
• 3-(Trifluoromethyl)benzaldehyde
• 2-Methyl-4-isothiazolin-3-one
• Benzothiazole
• Methyl acrylate