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CS-W001157 4
Total: USD 88.00

4,4-Difluorocyclohexan-1-amine

  • CAS No. 458566-84-2

  • Cat. No. CS-0054630
  • Purity≥97%
  • MDL No.MFCD06409984

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

4,4-Difluorocyclohexan-1-amine|CS-0054630

Structure of 458566-84-2

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General Information

  • CAS No. 458566-84-2
  • Cat. No. CS-0054630
  • Purity ≥97%
  • MDL No. MFCD06409984
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁F₂N
  • Molecular Weight 135.16
  • Synonym(s) 4,4-Difluorocyclohexanamine
  • SMILES NC1CCC(F)(F)CC1

Description

4,4-Difluorocyclohexan-1-amine features a rigid cyclohexane core with two fluorine atoms at the 4-position, imparting enhanced metabolic stability and modulated lipophilicity. The primary amine group enables facile conjugation, making this scaffold valuable for medicinal chemistry applications where controlled bioavailability and target engagement are critical.

Application

4,4-Difluorocyclohexan-1-amine serves as a valuable chiral building block in medicinal chemistry, offering enhanced metabolic stability and modulated lipophilicity due to the geminal difluoro substitution. The amine functionality enables straightforward derivatization via amidation, alkylation, or reductive amination, while the cyclohexane scaffold provides conformational rigidity beneficial for target engagement. Bench-stable and readily purified by standard techniques, it functions effectively in multi-step synthesis of bioactive molecules and pharmaceutical intermediates.

Synthesis

  • Route1

    References

    • WO2004/111033 A1, ; Page 24; 25 ; WO 2004/111033 A1
  • Route2
    • Benzyl (4,4-difluorocyclohexyl)carbamate|CS-0614301
      810675-56-0
    • ~%
    • In-stock
      4,4-Difluorocyclohexan-1-amine|CS-0054630
      458566-84-2

    References

    • WO2004/111033 A1, ; Page 24; 25 ; WO 2004/111033 A1
  • Route3
    • In-stock
      (4-Oxocyclohexyl)carbamic acid tert-butyl ester|CS-D1718
      179321-49-4
    • ~%
    • In-stock
      4,4-Difluorocyclohexan-1-amine|CS-0054630
      458566-84-2
    • 4-Fluorocyclohex-3-en-1-amine|CS-0477650
      675112-72-8

    References

    • WO2010/111406 A2, ; Page/Page column 104 ; WO 2010/111406 A2

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
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   1.523
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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