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CS-W001157 4
Total: USD 88.00

4-(4-Morpholinylmethyl)benzoic acid

  • CAS No. 62642-62-0

  • Cat. No. CS-W001865
  • Purity≥98%
  • MDL No.MFCD01167722

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

4-(4-Morpholinylmethyl)benzoic acid|CS-W001865

Structure of 62642-62-0

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General Information

  • CAS No. 62642-62-0
  • Cat. No. CS-W001865
  • Purity ≥98%
  • MDL No. MFCD01167722
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₃
  • Molecular Weight 221.25
  • Synonym(s) 4-(Morpholinomethyl)benzoic acid
  • SMILES OC(=O)c1ccc(cc1)CN1CCOCC1

Description

4-(4-Morpholinylmethyl)benzoic acid features a para-substituted benzene ring bearing a morpholinylmethyl group and a carboxylic acid terminus. This combination delivers enhanced solubility and metabolic stability, enabling efficient incorporation into bioactive scaffolds. The electron-rich morpholine moiety facilitates hydrogen bonding and polar interactions in drug discovery applications.

Application

4-(4-Morpholinylmethyl)benzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient construction of bioactive heterocyclic scaffolds. Its benzoic acid functionality facilitates direct amidation, esterification, or coupling reactions, while the morpholinylmethyl group offers moderate lipophilicity and metabolic stability. The compound exhibits good bench stability and is readily purified by recrystallization, supporting its use in iterative synthetic sequences and lead optimization campaigns.

Synthesis

  • Route1
    • null|null
      110-91-8
    • In-stock
      4-(Chloromethyl)benzoic acid|CS-W017672
      1642-81-5
    • ~86%
    • In-stock
      4-(4-Morpholinylmethyl)benzoic acid|CS-W001865
      62642-62-0

    References

    • Wang, Haiyan; Weller, Dwight D. Tetrahedron Letters, 1991 , vol. 32, # 50 p. 7385 - 7388
  • Route2
    • null|null
      110-91-8
    • In-stock
      4-(Bromomethyl)benzoic acid|CS-B1333
      6232-88-8
    • ~77%
    • In-stock
      4-(4-Morpholinylmethyl)benzoic acid|CS-W001865
      62642-62-0

    References

    • METHYLGENE, INC. Patent: WO2005/30704 A1, 2005 ; Location in patent: Page/Page column 224 ;

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   1.217
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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