Cas no 83774-13-4 (4-chloro-6-(propan-2-yloxy)pyrimidine)

4-chloro-6-(propan-2-yloxy)pyrimidine structure
83774-13-4 structure
Product Name:4-chloro-6-(propan-2-yloxy)pyrimidine
CAS No:83774-13-4
MF:C7H9ClN2O
MW:172.61216044426
MDL:MFCD11847658
CID:1028156
PubChem ID:11622416
Update Time:2024-10-26

4-chloro-6-(propan-2-yloxy)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-6-isopropoxypyrimidine
    • 4-Chloro-6-(1-methylethoxy)-pyrimidine
    • 4-chloro-6-(propan-2-yloxy)pyrimidine
    • 4-Chloro-6-(1-methylethoxy)pyrimidine (ACI)
    • Pyrimidine, 4-chloro-6-(1-methylethoxy)-
    • 4-chloro-6-(isopropyloxy)pyrimidine
    • 83774-13-4
    • SCHEMBL5391780
    • SB57392
    • RQWKDAIBLSRPIC-UHFFFAOYSA-N
    • MFCD11847658
    • DA-02501
    • AKOS010531531
    • DS-13146
    • SY034502
    • EN300-96028
    • CS-W022158
    • 4-chloro-6-isopropyloxypyrimidine
    • DTXSID50469567
    • 4-chloro-6-propan-2-yloxypyrimidine
    • 4-chloro-6-isopropoxy pyrimidine
    • MDL： MFCD11847658
    • Inchi： 1S/C7H9ClN2O/c1-5(2)11-7-3-6(8)9-4-10-7/h3-5H,1-2H3
    • InChI Key： RQWKDAIBLSRPIC-UHFFFAOYSA-N
    • SMILES： ClC1C=C(OC(C)C)N=CN=1

Computed Properties

  • Exact Mass: 172.0403406g/mol
  • Monoisotopic Mass: 172.0403406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 121
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 35?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.2±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 248.7±20.0 °C at 760 mmHg
  • Flash Point: 104.2±21.8 °C
  • Refractive Index: 1.507
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

4-chloro-6-(propan-2-yloxy)pyrimidine Security Information

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4-chloro-6-(propan-2-yloxy)pyrimidine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ;  4 h, rt
Reference
Molecular design, synthesis, and hypoglycemic and hypolipidemic activities of novel pyrimidine derivatives having thiazolidinedione
Lee, Hong Woo; et al, European Journal of Medicinal Chemistry, 2005, 40(9), 862-874

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