Cas no 867131-59-7 (4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine)

4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine is a heterocyclic compound featuring a pyrimidine core substituted with chloro, methyl, and methylsulfanyl functional groups. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The chloro group enhances electrophilic substitution potential, while the methylsulfanyl moiety contributes to nucleophilic reactivity. Its well-defined molecular framework ensures consistent performance in cross-coupling and substitution reactions. The compound's stability under standard conditions facilitates handling and storage. Its utility in constructing complex molecules underscores its importance in medicinal chemistry and material science research.
4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine structure
867131-59-7 structure
Product Name:4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine
CAS No:867131-59-7
MF:C6H7ClN2S
MW:174.651178598404
MDL:MFCD22201180
CID:1856672
PubChem ID:56924430
Update Time:2025-06-06

4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-methyl-6-(methylthio)pyrimidine
    • 4-Chloro-6-methanesulfonyl-2-methyl-pyrimidine
    • 4-CHLORO-2-METHYL-6-(METHYLSULFANYL)PYRIMIDINE
    • UVAKFWMJJGITGE-UHFFFAOYSA-N
    • PB19483
    • ST1141016
    • AB0096277
    • 4-Chloro-2-methyl-6-(methylthio)pyrimidine (ACI)
    • 4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine
    • MDL: MFCD22201180
    • Inchi: 1S/C6H7ClN2S/c1-4-8-5(7)3-6(9-4)10-2/h3H,1-2H3
    • InChI Key: UVAKFWMJJGITGE-UHFFFAOYSA-N
    • SMILES: ClC1C=C(SC)N=C(C)N=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 112
  • Topological Polar Surface Area: 51.1

Experimental Properties

  • Density: 1.30
  • Boiling Point: 254℃
  • Flash Point: 107℃

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4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Toluene ;  24 h, 22 °C
Reference
Structure-Based Design of a Novel Series of Potent, Selective Inhibitors of the Class I Phosphatidylinositol 3-Kinases
Smith, Adrian L.; et al, Journal of Medicinal Chemistry, 2012, 55(11), 5188-5219

4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine Raw materials

4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine Preparation Products

4-Chloro-2-methyl-6-(methylsulfanyl)pyrimidine Related Literature

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