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tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

  • CAS No. 624734-26-5

  • Cat. No. CS-0005904
  • Molecule weight302.29
  • Purity≥97%
  • MDL No.MFCD11521596

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

tert-Butyl 3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate|CS-0005904

Structure of 624734-26-5

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General Information

  • CAS No. 624734-26-5
  • Cat. No. CS-0005904
  • Purity ≥97%
  • MDL No. MFCD11521596
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇F₃N₂O₂
  • Molecular Weight 302.29
  • Synonym(s) tert-butyl 3-(trifluoroMethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
  • SMILES O=C(OC(C)(C)C)N(CC1)CC2=C1N=CC(C(F)(F)F)=C2

Synthesis

  • Route1

    References

    • Goble, Stephen D.; Yang, Lihu; Zhou, Changyou; Kothandaraman, Shankaran; Guiadeen, Deodialsingh; Butora, Gabor; Pastemak, Alexander; Mills, Sander G. Patent: US2007/117797 A1, 2007 ; Location in patent: Page/Page column 24 ; US 20070117797 A1
  • Route2

    References

    • MERCK and CO., INC. Patent: WO2005/105092 A2, 2005 ; Location in patent: Page/Page column 34 ; WO 2005/105092 A2
  • Route3

    References

    • JANSSEN PHARMACEUTICA NV; LANTER, James, C.; MARKOTAN, Thomas, P.; SUBASINGHE, Nalin; SUI, Zhihua Patent: WO2011/159854 A1, 2011 ; Location in patent: Page/Page column 197 ; WO 2011/159854 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-H320-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   42.43
  • LogP   3.3936
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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