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CS-W001157 4
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(S)-6-Fluorochromane-2-carboxylic acid

  • CAS No. 129101-36-6

  • Cat. No. CS-0102190
  • Purity≥95%
  • MDL No.MFCD20487794

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

(S)-6-Fluorochromane-2-carboxylic acid|CS-0102190

Structure of 129101-36-6

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General Information

  • CAS No. 129101-36-6
  • Cat. No. CS-0102190
  • Purity ≥95%
  • MDL No. MFCD20487794
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉FO₃
  • Molecular Weight 196.18
  • Synonym(s) 2H-1-Benzopyran-2-carboxylic acid, 6-fluoro-3,4-dihydro-, (2S)-
  • SMILES O=C([C@@H]1CCC2=CC(F)=CC=C2O1)O

Description

(S)-6-Fluorochromane-2-carboxylic acid is a chiral heterocyclic building block featuring a fluorinated chromane scaffold with a carboxylic acid functional group. This configuration enables direct integration into bioactive molecule synthesis, particularly in medicinal chemistry campaigns targeting CNS agents and kinase inhibitors. The stereogenic center at the 6-position ensures high enantioselectivity in downstream transformations.

Application

(S)-6-Fluorochromane-2-carboxylic acid serves as a chiral building block for the synthesis of bioactive heterocycles, leveraging its rigid chromane scaffold and orthogonal functionalization potential. The carboxylic acid group enables direct derivatization via amide coupling or esterification, while the 6-fluoro substituent enhances metabolic stability and modulates electronic properties. Bench-stable and compatible with standard synthetic workflows, it facilitates efficient access to pharmaceutical intermediates and kinase inhibitor scaffolds.

Synthesis

  • Route1

    References

    • Angewandte Chemie - International Edition, , vol. 52, # 9 p. 2555 - 2558 Angew. Chem., , vol. 125, # 9 p. 2615 - 2618,4

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   1.6039
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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