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CS-W001157 4
Total: USD 88.00

4-Chloroquinazolin-6-yl acetate

  • CAS No. 179246-11-8

  • Cat. No. CS-0448922
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-Chloroquinazolin-6-yl acetate|CS-0448922

Structure of 179246-11-8

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General Information

  • CAS No. 179246-11-8
  • Cat. No. CS-0448922
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClN₂O₂
  • Molecular Weight 222.63
  • Synonym(s) 6-Quinazolinol, 4-chloro-, 6-acetate
  • SMILES CC(=O)OC1=CC2=C(Cl)N=CN=C2C=C1

Synthesis

  • Route1
    • 4-Oxo-1,4-dihydroquinazolin-6-yl acetate|CS-0732070
      179688-15-4
    • ~10%
    • 4-Chloroquinazolin-6-yl acetate|CS-0448922
      179246-11-8

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2005/26151 A1, 2005 ; Location in patent: Page/Page column 113 ; WO 2005/026151 A1
  • Route2

    References

    • Li, Ri-Dong; Zhang, Xin; Li, Qiao-Yan; Ge, Ze-Mei; Li, Run-Tao Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 12 p. 3637 - 3640
  • Route3

    References

    • Li, Ri-Dong; Zhang, Xin; Li, Qiao-Yan; Ge, Ze-Mei; Li, Run-Tao Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 12 p. 3637 - 3640

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   2.2085
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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