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82294-70-0

82294-70-0 Structure

82294-70-0 Structure
IdentificationMore
[Name]

4-Methylthiazole-5-carboxaldehyde
[CAS]

82294-70-0
[Synonyms]

4-METHYL-5-FORMYLTHIAZOLE
4-METHYL-5-THIAZOLECARBOXALDEHYDE
4-METHYL-5-THIAZOLYL ALDEHYDE
4-METHYLTHIAZOLE-5-ALDEHYDE
4-METHYL-THIAZOLE-5-CARBALDEHYDE
4-METHYLTHIAZOLE-5-CARBOXALDEHYDE
5-FORMYL-4-METHYLTHIAZOLE
5-THIAZOLECARBOXALDEHYDE4-METHYL
FMT
IFLAB-BB F2124-0219
5-Thiazolecarboxaldehyde, 4-methyl-(9CI)
4-methylthiazole-5-carboxaldehyde (intermediate of cefditoren pivoxil)
5-THIAZOLECARBOXALDEHYDE 4-METHYL 99+%
4-Methylthiazol-5-carboxaldehyde
4-methyl-5-thiazol carbaldehyde
4-Methyl-1,3-thiazole-5-carboxaldehyde
4-methyl-5-thiazole carboxaldchyde
[EINECS(EC#)]

617-314-4
[Molecular Formula]

C5H5NOS
[MDL Number]

MFCD07368277
[Molecular Weight]

127.16
[MOL File]

82294-70-0.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29341000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Hazard InformationBack Directory
[Uses]

4-Methylthiazole-5-carboxaldehyde is used as pharmaceutical intermediate.
[Synthesis]

2-AMINO-4-METHYL-5-THIAZOLECARBOXALDEHYDE

89021-10-3

4-Methylthiazole-5-carboxaldehyde

82294-70-0

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
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methylthiazole-5-carboxaldehyde(82294-70-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

82294-70-0(sigmaaldrich)
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