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CS-W001157 4
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2-Fluoro-2-methylpropanoic acid

  • CAS No. 63812-15-7

  • Cat. No. CS-0022383
  • Purity≥97%
  • MDL No.MFCD03452788

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

2-Fluoro-2-methylpropanoic acid|CS-0022383

Structure of 63812-15-7

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General Information

  • CAS No. 63812-15-7
  • Cat. No. CS-0022383
  • Purity ≥97%
  • MDL No. MFCD03452788
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇FO₂
  • Molecular Weight 106.10
  • Synonym(s) Propanoic acid, 2-fluoro-2-methyl-
  • SMILES CC(C)(F)C(O)=O

Description

2-Fluoro-2-methylpropanoic acid is a sterically hindered, bench-stable fluorinated carboxylic acid featuring a trifluoromethyl-like electronic profile. This structure enables direct incorporation into bioactive scaffolds, particularly in medicinal chemistry where metabolic stability and lipophilicity are critical. The molecule resists decarboxylation under standard conditions and pairs effectively with nucleophilic reagents in coupling reactions.

Application

2-Fluoro-2-methylpropanoic acid serves as a valuable building block for fluorinated aliphatic scaffolds, enabling the synthesis of bioactive molecules through nucleophilic substitution or decarboxylation pathways. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate efficient incorporation into medicinal chemistry libraries. The geminal fluoromethyl motif provides enhanced metabolic stability and modulates lipophilicity, making it a practical choice for lead optimization in drug discovery.

Synthesis

  • Route1
    • Ethyl 2-fluoro-2-methylpropanoate|CS-0312272
      55816-69-8
    • ~%
    • In-stock
      2-Fluoro-2-methylpropanoic acid|CS-0022383
      63812-15-7

    References

    • US5750778 A1, ;
  • Route2

    References

    • US5750778 A1, ;
  • Route3
    • null|null
      1026976-92-0
    • ~%
    • In-stock
      2-Fluoro-2-methylpropanoic acid|CS-0022383
      63812-15-7

    References

    • Synthetic Communications, , vol. 26, # 6 p. 1155 - 1161

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H300-H310-H314-H318-H330
Precautionary Statements : P260-P262-P264-P270-P271-P280-P284-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P361+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   0.8191
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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