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CS-W001157 4
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Methyl 2-(5-bromopyridin-3-yl)acetate

  • CAS No. 118650-08-1

  • Cat. No. CS-W004448
  • Purity≥96%
  • MDL No.MFCD10000065

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

Methyl 2-(5-bromopyridin-3-yl)acetate|CS-W004448

Structure of 118650-08-1

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General Information

  • CAS No. 118650-08-1
  • Cat. No. CS-W004448
  • Purity ≥96%
  • MDL No. MFCD10000065
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrNO₂
  • Molecular Weight 230.06
  • Synonym(s) 3-Pyridineacetic acid, 5-broMo-, Methyl ester
  • SMILES COC(CC1=CC(Br)=CN=C1)=O

Synthesis

  • Route1

    References

    • CHUGAI SEIYAKU KABUSHIKI KAISHA Patent: EP1894911 A1, 2008 ; Location in patent: Page/Page column 57 ;
  • Route2

    References

    • Zhang, Jianmin; Pettersson, Hanna I.; Huitema, Carly; Niu, Chunying; Yin, Jiang; James, Michael N. G.; Eltis, Lindsay D.; Vederas, John C. Journal of Medicinal Chemistry, 2007 , vol. 50, # 8 p. 1850 - 1864
  • Route3

    References

    • MERCK FROSST CANADA LTD. Patent: WO2008/46226 A1, 2008 ; Location in patent: Page/Page column 52 ; WO 2008/046226 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.5596
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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