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Methyl isoindoline-4-carboxylate hydrochloride

  • CAS No. 127168-90-5

  • Cat. No. CS-0042127
  • Purity≥95%
  • MDL No.MFCD10700133

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

Methyl isoindoline-4-carboxylate hydrochloride|CS-0042127

Structure of 127168-90-5

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General Information

  • CAS No. 127168-90-5
  • Cat. No. CS-0042127
  • Purity ≥95%
  • MDL No. MFCD10700133
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂ClNO₂
  • Molecular Weight 213.66
  • Synonym(s) Methyl isoindoline-4-carboxylatehydrochloride
  • SMILES O=C(C1=CC=CC2=C1CNC2)OC.[H]Cl

Description

Methyl isoindoline-4-carboxylate hydrochloride delivers a stable, moisture-tolerant scaffold for synthetic applications. This bench-stable derivative features a protonated nitrogen that enhances solubility and reactivity in polar media. Its electron-rich isoindoline core facilitates coupling reactions under mild conditions, enabling efficient integration into complex molecular architectures.

Application

Methyl isoindoline-4-carboxylate hydrochloride serves as a versatile building block for heterocyclic synthesis, enabling efficient access to isoindoline-based scaffolds prevalent in medicinal chemistry. Its bench-stable nature and compatibility with standard coupling reactions facilitate straightforward functionalization. The carboxylate group supports derivatization via ester manipulation, while the protonated nitrogen enhances solubility and reactivity in polar media, making it well-suited for iterative synthetic sequences.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   1.4982
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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