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CS-W001157 4
Total: USD 88.00

6-Chlorochroman-2-carboxylic acid

  • CAS No. 40026-24-2

  • Cat. No. CS-0160554
  • Molecule weight212.63
  • Purity≥97%
  • MDL No.None

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

6-Chlorochroman-2-carboxylic acid|CS-0160554

Structure of 40026-24-2

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General Information

  • CAS No. 40026-24-2
  • Cat. No. CS-0160554
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClO₃
  • Molecular Weight 212.63
  • Synonym(s) 2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 6-CHLORO-3,4-DIHYDRO-
  • SMILES O=C(C1CCC2=C(O1)C=CC(Cl)=C2)O

Description

6-Chlorochroman-2-carboxylic acid features a chroman scaffold with a chlorine atom at the 6-position and a carboxylic acid group at C2, offering a rigid, electron-deficient platform for synthetic diversification. This structural motif enables direct integration into bioactive molecule design, particularly in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds. The compound exhibits bench-stable handling characteristics and compatibility with standard coupling reactions under mild conditions.

Application

6-Chlorochroman-2-carboxylic acid serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its structure combines a chlorinated chroman core with a carboxylic acid functionality, enabling straightforward derivatization via amide, ester, or Weinreb amide formation. The compound exhibits good bench stability and facilitates efficient coupling reactions in standard synthetic workflows, making it valuable for medicinal chemistry campaigns targeting kinase inhibitors and CNS agents.

Synthesis

  • Route1
    • 6-Chloro-4-oxo-3,4-dihydro-2h-1-benzopyran-2-carboxylic acid|CS-0235371
      52011-76-4
    • ~93%
    • In-stock
      6-Chlorochroman-2-carboxylic acid|CS-0160554
      40026-24-2

    References

    • Loiodice, Fulvio; Longo, Antonio; Bianco, Pasquale; Tortorella, Vincenzo Tetrahedron: Asymmetry, 1995 , vol. 6, # 4 p. 1001 - 1012
  • Route2
    • null|null
      357396-06-6
    • ~%
    • In-stock
      6-Chlorochroman-2-carboxylic acid|CS-0160554
      40026-24-2

    References

    • Ferorelli, Savina; Franchini, Carlo; Loiodice, Fulvio; Perrone, Maria Grazia; Scilimati, Antonio; Sinicropi, Maria Stefania; Tortorella, Paolo Tetrahedron Asymmetry, 2001 , vol. 12, # 6 p. 853 - 862

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

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.1182
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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