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CS-W001157 4
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(2R,3S,4S,5R)-3-(3,4-Difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furancarboxylic acid

  • CAS No. 2649470-87-9

  • Cat. No. CS-1234921
  • Molecule weight354.27
  • Purity≥98%
  • MDL No.None

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

(2R,3S,4S,5R)-3-(3,4-Difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furancarboxylic acid|CS-1234921

Structure of 2649470-87-9

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General Information

  • CAS No. 2649470-87-9
  • Cat. No. CS-1234921
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₅F₅O₄
  • Molecular Weight 354.27
  • Synonym(s) None
  • SMILES OC([C@H]1[C@H](C2=C(C(F)=C(C=C2)F)OC)[C@@H]([C@@](C)(O1)C(F)(F)F)C)=O

Description

This tetrahydrofuran carboxylic acid features a sterically hindered trifluoromethyl group and a difluoromethoxy-substituted aromatic ring, enhancing metabolic stability and membrane permeability. The chiral framework supports precise stereochemical control in medicinal chemistry applications, enabling efficient incorporation into bioactive scaffolds under standard conditions.

Application

This compound serves as a versatile building block for medicinal chemistry, enabling the synthesis of fluorinated heterocyclic scaffolds relevant to drug discovery. Its structural features—tetrahydrofuran core, trifluoromethyl group, and ortho-difluoro substitution—provide enhanced metabolic stability and lipophilicity. The carboxylic acid functionality facilitates downstream derivatization via amide coupling or esterification, while the stereochemistry ensures predictable reactivity in asymmetric synthesis. Bench-stable and amenable to standard purification methods, it functions reliably in multi-step 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-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   N/A
  • LogP   N/A
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   N/A

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