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CS-W001157 4
Total: USD 88.00

4-((4-Hydroxybutoxy)carbonyl)benzoic acid

  • CAS No. 63317-89-5

  • Cat. No. CS-0162788
  • Molecule weight238.24
  • Purity≥95%
  • MDL No.None

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

4-((4-Hydroxybutoxy)carbonyl)benzoic acid|CS-0162788

Structure of 63317-89-5

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General Information

  • CAS No. 63317-89-5
  • Cat. No. CS-0162788
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₅
  • Molecular Weight 238.24
  • Synonym(s) 1,4-Benzenedicarboxylic acid, mono(4-hydroxybutyl) ester
  • SMILES O=C(O)C1=CC=C(C(OCCCCO)=O)C=C1

Description

This hydroxylated benzoic acid derivative integrates a flexible ether-linked side chain, enabling enhanced solubility in polar media while maintaining structural integrity under standard reaction conditions. The para-carboxylic acid group provides a reactive handle for conjugation, and the terminal hydroxyl offers additional functionalization potential.

Application

4-((4-Hydroxybutoxy)carbonyl)benzoic acid serves as a versatile bifunctional building block for conjugate addition and esterification reactions. The carboxylic acid group enables coupling with amines or alcohols, while the pendant hydroxyl facilitates further derivatization. Its stability under standard synthetic conditions and compatibility with common protecting group strategies make it well-suited for modular synthesis of bioactive molecules and polymer linkers.

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   83.83
  • LogP   1.3141
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   6

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