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CS-W001157 4
Total: USD 88.00

5-((tert-Butoxycarbonyl)amino)-2-fluoroisonicotinic acid

  • CAS No. 171178-42-0

  • Cat. No. CS-0083017
  • Purity≥97%
  • MDL No.MFCD09037863

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

5-((tert-Butoxycarbonyl)amino)-2-fluoroisonicotinic acid|CS-0083017

Structure of 171178-42-0

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General Information

  • CAS No. 171178-42-0
  • Cat. No. CS-0083017
  • Purity ≥97%
  • MDL No. MFCD09037863
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃FN₂O₄
  • Molecular Weight 256.23
  • Synonym(s) 5-TERT-BUTOXYCARBONYLAMINO-2-FLUOROISONICOTINIC ACID
  • SMILES FC1=NC=C(NC(OC(C)(C)C)=O)C(C(O)=O)=C1

Synthesis

  • Route1

    References

    • Warner-Lambert Company Patent: US5654307 A1, 1997 ; US 5654307 A
  • Route2
    • null|null
      124-38-9
    • In-stock
      tert-Butyl (6-fluoropyridin-3-yl)carbamate|CS-0037503
      171178-41-9
    • ~64%
    • In-stock
      5-((tert-Butoxycarbonyl)amino)-2-fluoroisonicotinic acid|CS-0083017
      171178-42-0

    References

    • Zhang, Yinsheng; Huang, Yun; Huang, Che C. Journal of Labelled Compounds and Radiopharmaceuticals, 2005 , vol. 48, # 7 p. 485 - 496
  • Route3

    References

    • Wissner, Allan; Hamann, Philip R.; Nilakantan, Ramaswamy; Greenberger, Lee M.; Ye, Fei; Rapuano, Timothy A.; Loganzo, Frank Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 6 p. 1411 - 1416

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   88.52
  • LogP   2.2659
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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