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Ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

  • CAS No. 853058-42-1

  • Cat. No. CS-0049462
  • Molecule weight225.63
  • Purity≥97%
  • MDL No.None

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

Ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate|CS-0049462

Structure of 853058-42-1

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General Information

  • CAS No. 853058-42-1
  • Cat. No. CS-0049462
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClN₃O₂
  • Molecular Weight 225.63
  • Synonym(s) ethyl 4-chloro-5H-pyrrolo[3
  • SMILES CCOC(=O)C1=CNC2=C1N=CN=C2Cl

Synthesis

  • Route1

    References

    • Bender, John A.; Yang, Zhong; Kadow, John F.; Meanwell, Nicholas A. Patent: US2005/124623 A1, 2005 ; Location in patent: Page/Page column 44 ;
  • Route2
    • null|null
      1246223-37-9
    • ~99%
    • Ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate|CS-0049462
      853058-42-1

    References

    • Ham, Young Jin; Lee, Duck-Hyung; Choi, Hwan Geun; Hah, Jung-Mi; Sim, Taebo Tetrahedron Letters, 2010 , vol. 51, # 35 p. 4609 - 4611
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 23, # 1 p. 218 - 222

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   67.87
  • LogP   1.788
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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