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6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride

  • CAS No. 1359703-79-9

  • Cat. No. CS-0156842
  • Purity≥97%
  • MDL No.MFCD20921934

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

6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride|CS-0156842

Structure of 1359703-79-9

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General Information

  • CAS No. 1359703-79-9
  • Cat. No. CS-0156842
  • Purity ≥97%
  • MDL No. MFCD20921934
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅Cl₂NO
  • Molecular Weight 260.16
  • Synonym(s) None
  • SMILES C1=CC(=CC2=C1COC32CCNCC3)Cl.Cl

Description

6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride features a rigid spirocyclic architecture that enhances metabolic stability and conformational control. The chloro substituent at the 6-position imparts electron-withdrawing character, modulating reactivity in synthetic transformations. This bench-stable salt exhibits favorable solubility in polar solvents, enabling straightforward incorporation into medicinal chemistry workflows.

Application

6-Chloro-3H-spiro[isobenzofuran-1,4'-piperidine] hydrochloride serves as a versatile building block in medicinal chemistry, enabling the construction of spirocyclic scaffolds with defined stereochemistry. The chloro substituent facilitates downstream functionalization via palladium-catalyzed cross-coupling, while the piperidine nitrogen offers a handle for derivatization. Its crystalline solid form ensures bench stability and ease of purification, making it suitable for iterative synthesis workflows in API development.

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   21.26
  • LogP   2.8707
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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