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CS-W001157 4
Total: USD 88.00

2-Benzylisoindoline-4-carboxylic acid

  • CAS No. 127169-17-9

  • Cat. No. CS-0018913
  • Purity≥95%
  • MDL No.MFCD09835508

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

2-Benzylisoindoline-4-carboxylic acid|CS-0018913

Structure of 127169-17-9

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General Information

  • CAS No. 127169-17-9
  • Cat. No. CS-0018913
  • Purity ≥95%
  • MDL No. MFCD09835508
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₅NO₂
  • Molecular Weight 253.30
  • Synonym(s) 2-BENZYLISOINDOLINE-4-CARBOXYLICACID
  • SMILES O=C(C1=CC=CC2=C1CN(CC3=CC=CC=C3)C2)O

Description

2-Benzylisoindoline-4-carboxylic acid features a rigid isoindoline scaffold bearing a benzyl group at the 2-position and a carboxylic acid at the 4-position, enabling integration into bioactive scaffolds. This structural motif offers enhanced metabolic stability and favorable solubility profiles for medicinal chemistry applications.

Application

2-Benzylisoindoline-4-carboxylic acid serves as a versatile scaffold for the synthesis of isoindoline-based heterocycles, commonly employed in medicinal chemistry and materials science. The carboxylic acid group enables straightforward derivatization via amide coupling, esterification, or decarboxylation protocols. The benzyl substituent enhances stability and facilitates purification, while the isoindoline core provides a rigid, planar framework ideal for structure-activity studies. This compound functions effectively in standard peptide coupling and transition-metal-catalyzed transformations.

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   40.54
  • LogP   2.9006
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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