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CS-W001157 4
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1-N-Boc-5-bromo-3-trifluoromethyl-1H-indazole

  • CAS No. 929617-37-8

  • Cat. No. CS-0342562
  • Molecule weight365.15
  • Purity≥96%
  • MDL No.None

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

1-N-Boc-5-bromo-3-trifluoromethyl-1H-indazole|CS-0342562

Structure of 929617-37-8

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General Information

  • CAS No. 929617-37-8
  • Cat. No. CS-0342562
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂BrF₃N₂O₂
  • Molecular Weight 365.15
  • Synonym(s) tert-Butyl 5-bromo-3-(trifluoromethyl)-1H-indazole-1-carboxylate
  • SMILES CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C(=N1)C(F)(F)F

Synthesis

  • Route1

    References

    • Zhu, Gui-Dong; Gong, Jianchun; Gandhi, Viraj B.; Woods, Keith; Luo, Yan; Liu, Xuesong; Guan, Ran; Klinghofer, Vered; Johnson, Eric F.; Stoll, Vincent S.; Mamo, Mulugeta; Li, Qun; Rosenberg, Saul H.; Giranda, Vincent L. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 6 p. 2441 - 2452
  • Route2
    • 2-(2,2,2-Trifluoroethyl)aniline|CS-0150079
      57631-04-6
    • ~%
    • 1-N-Boc-5-bromo-3-trifluoromethyl-1H-indazole|CS-0342562
      929617-37-8

    References

    • Zhu, Gui-Dong; Gong, Jianchun; Gandhi, Viraj B.; Woods, Keith; Luo, Yan; Liu, Xuesong; Guan, Ran; Klinghofer, Vered; Johnson, Eric F.; Stoll, Vincent S.; Mamo, Mulugeta; Li, Qun; Rosenberg, Saul H.; Giranda, Vincent L. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 6 p. 2441 - 2452
  • Route3

    References

    • Zhu, Gui-Dong; Gong, Jianchun; Gandhi, Viraj B.; Woods, Keith; Luo, Yan; Liu, Xuesong; Guan, Ran; Klinghofer, Vered; Johnson, Eric F.; Stoll, Vincent S.; Mamo, Mulugeta; Li, Qun; Rosenberg, Saul H.; Giranda, Vincent L. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 6 p. 2441 - 2452

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   4.6008
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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