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Home > Encyclopedia > 4-Chloro-2-(methylsulfonyl)pyrimidine

4-Chloro-2-(methylsulfonyl)pyrimidine

4-Chloro-2-(methylsulfonyl)pyrimidine structure

4-Chloro-2-(methylsulfonyl)pyrimidine 

structure
  • CAS No:

    97229-11-3

  • Formula:

    C5H5ClN2O2S

  • Chemical Name:

    4-Chloro-2-(methylsulfonyl)pyrimidine

  • Synonyms:

    Pyrimidine,4-chloro-2-(methylsulfonyl)-;4-Chloro-2-(methylsulfonyl)pyrimidine

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

White solid

4-Chloro-2-(methylsulfonyl)pyrimidine Basic Attributes

192.62

192.62

1312995-182-4

DTXSID70456893

2933599090

Characteristics

68.3

0.7

1.486

88-89 °C

371.1°C at 760 mmHg

178.3ºC

1.539

Safety Information

20/21/22

36/37

4-Chloro-2-(methylsulfonyl)pyrimidine Use and Manufacturing

4-Chloro-2-methylpyrimidine (Compound 1) (7.25 mL, 62.3 mmol) and 95percent ethanol (100 mL) were added to a 250 mL single-necked flask with magnetic stirring, and the mixture was stirred and cooled to 0 ° C. Hydrogen peroxide (30percent, 14.4 mL, 187 mmol) of ammonium tetramohydrate tetrahydrate (2.18 g, 1.87 mmol) was slowly added dropwise, and the mixture was warmed to room temperature after stirring, and the reaction was stirred overnight under nitrogen.The organic solvent was evaporated under reduced pressure, and water (200 mL) was evaporated.Dry over anhydrous sodium sulfate, filter, concentrate, Silica gel column chromatography gave 10.2 g of a white solid.The yield was 85.7percent.

Computed Properties

Molecular Weight:192.62
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:191.9760263
Monoisotopic Mass:191.9760263
Topological Polar Surface Area:68.3
Heavy Atom Count:11
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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