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CS-W001157 4
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Methyl 3,3-difluoropiperidine-4-carboxylate hydrochloride

  • CAS No. 1779974-06-9

  • Cat. No. CS-0644642
  • Molecule weight215.63
  • Purity≥95%
  • MDL No.None

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

Methyl 3,3-difluoropiperidine-4-carboxylate hydrochloride|CS-0644642

Structure of 1779974-06-9

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General Information

  • CAS No. 1779974-06-9
  • Cat. No. CS-0644642
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂ClF₂NO₂
  • Molecular Weight 215.63
  • Synonym(s) None
  • SMILES O=C(C1C(F)(F)CNCC1)OC.Cl

Description

Methyl 3,3-difluoropiperidine-4-carboxylate (hydrochloride) features a sterically constrained piperidine core with dual fluorine substituents enhancing metabolic stability and modulating electronic properties. This bench-stable derivative integrates readily into medicinal chemistry campaigns requiring lipophilic, electron-deficient heterocyclic scaffolds for targeted receptor engagement.

Application

Methyl 3,3-difluoropiperidine-4-carboxylate (hydrochloride) serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated piperidine scaffolds prevalent in bioactive molecules. The difluoromethylene group enhances metabolic stability and modulates electronic properties, while the ester functionality facilitates downstream transformations. Bench-stable and readily purified, it functions effectively in standard coupling and reduction protocols, supporting efficient access to complex heterocyclic intermediates.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   0.826
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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