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185040-32-8

185040-32-8 Structure

185040-32-8 Structure
IdentificationBack Directory
[Name]

4-METHYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
[CAS]

185040-32-8
[Synonyms]

4-MethylaMino-2-MethylsulfanylpyriMidine
4-(MethylaMino)-2-(Methylthio)pyriMidine-5-carboxald
4-MethylaMino-2-MethanethiopyriMidine-5- carboxaldehyde
4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde
4-METHYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
4-(METHYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINE CARBALDEHYDE
4-(MethylaMino)-2-(Methylthio)-5-pyriMidinecarboxaldehyde
4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxaldehyde
5-Pyrimidinecarboxaldehyde, 4-(methylamino)-2-(methylthio)-
4-MethylaMino-2-Methanesulfanyl-pyriMidine-5-carboxaldehyde
4-(MethylaMino)-2-(Met hylsulfanyl)pyriMidine-5-carboxaldehyde
4-METHYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE ISO 9001:2015 REACH
[Molecular Formula]

C7H9N3OS
[MDL Number]

MFCD04115117
[MOL File]

185040-32-8.mol
[Molecular Weight]

183.23
Chemical PropertiesBack Directory
[Melting point ]

99-101 °C
[Boiling point ]

377.1±27.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol
[form ]

Solid
[pka]

3.15±0.10(Predicted)
[color ]

White
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Intermediate in the preparation of p38 kinase inhibitors
[Synthesis]

4-(Methylamino)-2-(methylthio)pyrimidine-5-methanol

17759-30-7

4-METHYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE

185040-32-8

In a dry 3L three-necked round-bottomed flask equipped with an overhead mechanical stirrer and an argon inlet, 32.74 g (176.7 mmol) of (4-methylamino-2-methanesulfonyl-pyrimidin-5-yl)-methanol was dissolved in 1.6 L of chloroform. Under stirring conditions, 152 g (1.75 mol) of manganese dioxide was added in batches. The reaction mixture was slightly heated and stirred continuously for 7 hours. Upon completion of the reaction, vacuum filtration was performed through a diatomaceous earth pad to remove the manganese dioxide and the filter cake was washed well with two 300mL portions of chloroform. The filtrates were combined and concentrated to give a white solid product. After vacuum drying, 30.6 g (94% yield) of 4-methylamino-2-methylthio-5-formylpyrimidine was obtained. The spectral data of the obtained product were in agreement with the values reported in the literature.

[References]

[1] Patent: WO2004/63195, 2004, A1. Location in patent: Page 53-54
[2] Journal of Medicinal Chemistry, 1998, vol. 41, # 17, p. 3276 - 3292
[3] Patent: WO2006/71940, 2006, A2. Location in patent: Page/Page column 355
[4] Patent: WO2008/33999, 2008, A2. Location in patent: Page/Page column 88
[5] Patent: WO2014/11900, 2014, A2. Location in patent: Page/Page column 31; 32
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHYLAMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE(185040-32-8)1HNMR
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