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CS-W001157 4
Total: USD 88.00

tert-Butyl 2-chloronicotinate

  • CAS No. 232951-83-6

  • Cat. No. CS-0130057
  • Purity≥98%
  • MDL No.MFCD18434485

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

tert-Butyl 2-chloronicotinate|CS-0130057

Structure of 232951-83-6

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General Information

  • CAS No. 232951-83-6
  • Cat. No. CS-0130057
  • Purity ≥98%
  • MDL No. MFCD18434485
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂ClNO₂
  • Molecular Weight 213.66
  • Synonym(s) tert-Butyl 2-chloro-3-pyridinecarboxylate
  • SMILES O=C(C1=CC=CN=C1Cl)OC(C)(C)C

Synthesis

  • Route1
    • 2-Chloronicotinoyl chloride|CS-W017427
      49609-84-9
    • In-stock
      Potassium tert-butoxide|CS-0864415
      865-47-4
    • ~98%
    • In-stock
      tert-Butyl 2-chloronicotinate|CS-0130057
      232951-83-6

    References

    • Basilea Pharmaceutica AG Patent: US6812238 B1, 2004 ; Location in patent: Page/Page column 21-22; 34-35 ;
  • Route2

    References

    • Wright, Stephen W. Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 2 p. 442 - 445
  • Route3

    References

    • Ohwada, Jun; Tsukazaki, Masao; Hayase, Tadakatsu; Oikawa, Nobuhiro; Isshiki, Yoshiaki; Fukuda, Hiroshi; Mizuguchi, Eisaku; Sakaitani, Masahiro; Shiratori, Yasuhiko; Yamazaki, Toshikazu; Ichihara, Shigeyasu; Umeda, Isao; Shimma, Nobuo Bioorganic and medicinal chemistry letters, 2003 , vol. 13, # 2 p. 191 - 196

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   2.6903
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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