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Ethyl 5-fluoro-1H-indazole-3-carboxylate

  • CAS No. 1016-36-0

  • Cat. No. CS-0101088
  • Purity≥98%
  • MDL No.MFCD07371577

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

Ethyl 5-fluoro-1H-indazole-3-carboxylate|CS-0101088

Structure of 1016-36-0

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General Information

  • CAS No. 1016-36-0
  • Cat. No. CS-0101088
  • Purity ≥98%
  • MDL No. MFCD07371577
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉FN₂O₂
  • Molecular Weight 208.19
  • Synonym(s) None
  • SMILES O=C(C1=NNC2=C1C=C(F)C=C2)OCC

Synthesis

  • Route1

    References

    • Purdue Pharma L.P.; Kyle, Donald J.; Ni, Chiyou; Tafesse, Laykea; Yao, Jiangchao Patent: US2013/296281 A1, 2013 ; Location in patent: Paragraph 0580 ;
  • Route2
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    • Ethyl 5-fluoro-1H-indazole-3-carboxylate|CS-0101088
      1016-36-0

    References

    • Ackermann, Jean; Bleicher, Konrad; Ceccarelli, Simona M.; Chomienne, Odile; Mattei, Patrizio Patent: US2008/103182 A1, 2008 ; Location in patent: Page/Page column 18 ;
  • Route3

    References

    • Crocetti, Letizia; Schepetkin, Igor A.; Cilibrizzi, Agostino; Graziano, Alessia; Vergelli, Claudia; Giomi, Donatella; Khlebnikov, Andrei I.; Quinn, Mark T.; Giovannoni, Maria Paola Journal of Medicinal Chemistry, 2013 , vol. 56, # 15 p. 6259 - 6272

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   1.8787
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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