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CS-W001157 4
Total: USD 88.00

3H-Spiro[isobenzofuran-1,4'-piperidine] hydrochloride

  • CAS No. 37663-44-8

  • Cat. No. CS-W002898
  • Purity≥97%
  • MDL No.MFCD02179146

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

3H-Spiro[isobenzofuran-1,4'-piperidine] hydrochloride|CS-W002898

Structure of 37663-44-8

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General Information

  • CAS No. 37663-44-8
  • Cat. No. CS-W002898
  • Purity ≥97%
  • MDL No. MFCD02179146
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆ClNO
  • Molecular Weight None
  • Synonym(s) 4-SPIRO-[1-PHTHALAN]PIPERIDINE HYDROCHLORIDE
  • SMILES C1(CO2)=CC=CC=C1C32CCNCC3.Cl

Description

This spirocyclic heterocycle features a rigid 3H-spiro[isobenzofuran-1,4'-piperidine] core with a protonated piperidine nitrogen, delivering enhanced metabolic stability and improved membrane permeability. The hydrochloride salt form ensures high solubility and crystalline purity, enabling reliable use in medicinal chemistry campaigns and target validation studies.

Application

3H-Spiro[isobenzofuran-1,4'-piperidine] hydrochloride serves as a valuable spirocyclic scaffold for medicinal chemistry campaigns, offering a rigid, three-dimensional core with defined stereochemistry. Its structure combines an isobenzofuran moiety with a piperidine nitrogen, enabling diverse functionalization and enhancing metabolic stability. The hydrochloride salt improves solubility and handling, facilitating downstream coupling reactions and parallel synthesis workflows.

Synthesis

  • Route1
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      54596-09-7
    • ~%
    • In-stock
      3H-Spiro[isobenzofuran-1,4'-piperidine] hydrochloride|CS-W002898
      37663-44-8

    References

    • EP1726590 A1, ; Page/Page column 49-50 ;

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   21.26
  • LogP   2.2173
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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