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5-Fluoro-2,3-dihydro-1H-indene-2-carboxylic acid

  • CAS No. 628732-07-0

  • Cat. No. CS-0514354
  • Purity≥96%
  • MDL No.None

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

5-Fluoro-2,3-dihydro-1H-indene-2-carboxylic acid|CS-0514354

Structure of 628732-07-0

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General Information

  • CAS No. 628732-07-0
  • Cat. No. CS-0514354
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉FO₂
  • Molecular Weight 180.18
  • Synonym(s) 5-Fluoro-indan-2-carboxylic acid
  • SMILES O=C(C1CC2=C(C=C(F)C=C2)C1)O

Description

5-Fluoro-2,3-dihydro-1H-indene-2-carboxylic acid features a fluorinated indene core with a carboxylic acid group at the 2-position, offering enhanced metabolic stability and lipophilicity. This scaffold integrates readily into bioactive molecules, particularly in medicinal chemistry campaigns targeting CNS disorders and kinase inhibitors. The electron-withdrawing fluorine substituent modulates electronic distribution across the aromatic system, improving binding affinity in target-directed designs.

Application

5-Fluoro-2,3-dihydro-1H-indene-2-carboxylic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of fluorinated indane scaffolds prevalent in bioactive molecules. Its carboxylic acid functionality facilitates direct derivatization via amide, ester, or acyl chloride formation, while the fluorine substituent enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and compatibility with standard coupling conditions, supporting efficient incorporation into diverse synthetic sequences.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.6251
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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