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CS-W001157 4
Total: USD 88.00

2-(tert-Butoxycarbonyl)isoindoline-4-carboxylic acid

  • CAS No. 1044764-69-3

  • Cat. No. CS-0055022
  • Purity≥97%
  • MDL No.None

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

2-(tert-Butoxycarbonyl)isoindoline-4-carboxylic acid|CS-0055022

Structure of 1044764-69-3

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General Information

  • CAS No. 1044764-69-3
  • Cat. No. CS-0055022
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇NO₄
  • Molecular Weight 263.29
  • Synonym(s) 2H-Isoindole-2,4-dicarboxylic acid, 1,3-dihydro-, 2-(1,1-dimethylethyl) ester
  • SMILES O=C(C1=CC=CC2=C1CN(C(OC(C)(C)C)=O)C2)O

Description

This boronate-containing scaffold features a protected amine and electron-deficient aromatic core, enabling direct incorporation into peptide macrocycles. The tert-butyl ester group provides enhanced stability during purification and storage, while the isoindoline framework offers rigidity for conformational control in bioactive molecule design.

Application

2-(tert-Butoxycarbonyl)isoindoline-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the efficient synthesis of isoindoline-based scaffolds prevalent in bioactive molecules. The Boc group provides excellent stability and orthogonal deprotection compatibility, while the carboxylic acid functionality facilitates direct coupling reactions. Its robustness under standard peptide and heterocyclic coupling conditions makes it ideal for modular library construction and API intermediate 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.84
  • LogP   2.6355
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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