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CS-W001157 4
Total: USD 88.00

4-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester

  • CAS No. 187724-93-2

  • Cat. No. CS-0053868
  • Molecule weight301.73
  • Purity≥98%
  • MDL No.MFCD17016050

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

4-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester|CS-0053868

Structure of 187724-93-2

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General Information

  • CAS No. 187724-93-2
  • Cat. No. CS-0053868
  • Purity ≥98%
  • MDL No. MFCD17016050
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂ClN₃O₂
  • Molecular Weight 301.73
  • Synonym(s) ethyl 4-{4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl}benzoate
  • SMILES O=C(OCC)C1=CC=C(C2=CC3=C(Cl)N=CN=C3N2)C=C1

Synthesis

  • Route1
    • methyl 4-(4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate|CS-1006862
      187724-92-1
    • ~%
    • 4-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester|CS-0053868
      187724-93-2

    References

    • Novartis AG Patent: US6140332 A1, 2000 ; US 6140332 A

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   67.87
  • LogP   3.455
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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