ChemicalBook--->CAS DataBase List--->115581-36-7

115581-36-7

115581-36-7 Structure

115581-36-7 Structure
IdentificationBack Directory
[Name]

2-chloro-5-(Methylthio)pyriMidine
[CAS]

115581-36-7
[Synonyms]

2-chloro-5-(Methylthio)pyriMidine
2-Chloro-5-methylsulfanyl-pyrimidine
Pyrimidine, 2-chloro-5-(methylthio)-
[Molecular Formula]

C5H5ClN2S
[MDL Number]

MFCD22044944
[MOL File]

115581-36-7.mol
[Molecular Weight]

160.62
Chemical PropertiesBack Directory
[Boiling point ]

308.3±15.0 °C(Predicted)
[density ]

1.37±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

-1.78±0.22(Predicted)
[Appearance]

Off-white to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315-H302-H335
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Spectrum DetailBack Directory
[Spectrum Detail]

2-chloro-5-(Methylthio)pyriMidine(115581-36-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

Dimethyl disulfide

624-92-0

5-Bromo-2-chloropyrimidine

32779-36-5

2-chloro-5-(Methylthio)pyriMidine

115581-36-7

General procedure for the synthesis of 2-chloro-5-(methylthio)pyrimidine from 5-bromo-2-chloropyrimidine and dimethyl disulfide: 1.00 g (5.17 mmol) of 5-bromo-2-chloropyrimidine and 551 μl (6.20 mmol) of dimethyl disulfide were dissolved in 26 ml of tetrahydrofuran and cooled to -78 °C. Under stirring, 1.89 ml (5.17 mmol) of 2.73N n-butyllithium/hexane solution was slowly added, keeping the reaction temperature at -78 °C, and stirring was continued for 2 hours. Upon completion of the reaction, the reaction was quenched by adding saturated aqueous ammonium chloride solution to the reaction mixture and the organic phase was extracted with ethyl acetate. The organic layers were combined, washed with saturated aqueous sodium chloride solution and dried over anhydrous sodium sulfate. The solvent was removed by distillation under reduced pressure to give the crude product. Purification by silica gel column chromatography [eluent: n-hexane/ethyl acetate = 90/10 (V/V)], the fraction containing the target compound was collected and concentrated under reduced pressure to give 149 mg of 2-chloro-5-(methylthio)pyrimidine as a white solid (yield: 18%). The product was characterized by 1H-NMR (500 MHz, CDCl3): δ 8.49 (2H, s), 2.54 (3H, s).

[References]

[1] Patent: US2013/109653, 2013, A1. Location in patent: Paragraph 0831-0833
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