structure of 3-[4-(Difluoromethoxy)phenyl]propanoic acid

3-[4-(Difluoromethoxy)phenyl]propanoic acid

CAS No.: 1000932-18-2
M. Wt: 216.18100
M. Fa: C10H10F2O3
InChI Key: FOBBJWXKCGHQLT-UHFFFAOYSA-N
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Names and Identifiers of 1000932-18-2

CAS Number

1000932-18-2

MDL Number

MFCD09863355

IUPAC Name

3-[4-(difluoromethoxy)phenyl]propanoic acid

InChI

InChI=1S/C10H10F2O3/c11-10(12)15-8-4-1-7(2-5-8)3-6-9(13)14/h1-2,4-5,10H,3,6H2,(H,13,14)

InChIKey

FOBBJWXKCGHQLT-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC=C1CCC(=O)O)OC(F)F

UNSPSC Code

12352100

Physical and chemical properties of 1000932-18-2

Exact Mass

216.06000

LogP

2.30520

Melting Point

66-69℃

Molecular Formula

C10H10F2O3

Molecular Weight

216.18100

PSA

46.53000

Safety Information of 1000932-18-2

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000932-18-2

3-[4-(Difluoromethoxy)phenyl]propanoic acid has potential applications in various fields:

  • Pharmaceutical Development: Due to its biological activity, it may serve as a lead compound for developing new anti-inflammatory drugs.
  • Chemical Research: It can be utilized in studies involving structure-activity relationships in medicinal chemistry.
  • Biochemical Assays: Its unique properties make it suitable for use in proteomics and other biochemical assays.

Interaction Studies of 1000932-18-2

Interaction studies involving 3-[4-(difluoromethoxy)phenyl]propanoic acid focus on its binding affinity to specific biological targets, such as enzymes or receptors involved in inflammatory pathways. These studies are crucial for understanding its mechanism of action and potential therapeutic effects. Preliminary data suggest that it may interact with cyclooxygenase enzymes, which are key players in inflammation.

Biological Activity of 1000932-18-2

Research suggests that 3-[4-(difluoromethoxy)phenyl]propanoic acid exhibits biological activity relevant to pharmacology and biochemistry. It has been studied for its potential anti-inflammatory properties and its role in modulating various biochemical pathways. The presence of the difluoromethoxy substituent enhances its lipophilicity, potentially improving its bioavailability and interaction with biological targets.

Physical sample testing spectrum (NMR) of 1000932-18-2

Physical sample testing spectrum (NMR) of 1000932-18-2

Retrosynthesis analysis of 1000932-18-2

  • Route#1

    Cas:5905-69-1
    Cas:1000932-18-2

  • Route#2

    Cas:106-41-2
    Cas:1000932-18-2