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Ethyl 3-(6-chloropyridin-3-yl)-3-oxopropanoate

  • CAS No. 216317-64-5

  • Cat. No. CS-0433514
  • Purity≥95%
  • MDL No.MFCD11974614

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

Ethyl 3-(6-chloropyridin-3-yl)-3-oxopropanoate|CS-0433514

Structure of 216317-64-5

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General Information

  • CAS No. 216317-64-5
  • Cat. No. CS-0433514
  • Purity ≥95%
  • MDL No. MFCD11974614
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀ClNO₃
  • Molecular Weight 227.64
  • Synonym(s) ethyl 3-[3-(6-chloropyridyl)]-3-oxopropanoate
  • SMILES O=C(CC(C1=CC=C(N=C1)Cl)=O)OCC

Synthesis

  • Route1

    References

    • VIROBAY, INC. Patent: WO2007/5779 A2, 2007 ; Location in patent: Page/Page column 38 ;
  • Route2
    • null|null
      350229-56-0
    • ~52%
    • Ethyl 3-(6-chloropyridin-3-yl)-3-oxopropanoate|CS-0433514
      216317-64-5

    References

    • Roy, Balaram; Watanabe, Hidenori; Kitahara, Takeshi Heterocycles, 2001 , vol. 55, # 5 p. 861 - 871
  • Route3

    References

    • FUJIFILM FINECHEMICALS CO., LTD.; EISAI RandD MANAGEMENT CO., LTD. Patent: US2010/16603 A1, 2010 ; Location in patent: Page/Page column 9 ;

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   56.26
  • LogP   1.8709
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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