structure of 2-(4-Methoxy-3-(trifluoromethyl)phenyl)acetic acid

2-(4-Methoxy-3-(trifluoromethyl)phenyl)acetic acid

CAS No.: 1000566-45-9
M. Wt: 234.17200
M. Fa: C10H9F3O3
InChI Key: SVJBALZZRCDJHL-UHFFFAOYSA-N
Appearance: Off white solid

Names and Identifiers of 1000566-45-9

CAS Number

1000566-45-9

MDL Number

MFCD09832302

IUPAC Name

2-[4-methoxy-3-(trifluoromethyl)phenyl]acetic acid

InChI

InChI=1S/C10H9F3O3/c1-16-8-3-2-6(5-9(14)15)4-7(8)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)

InChIKey

SVJBALZZRCDJHL-UHFFFAOYSA-N

Canonical SMILES

COC1=C(C=C(C=C1)CC(=O)O)C(F)(F)F

UNSPSC Code

12352100

Physical and chemical properties of 1000566-45-9

Exact Mass

234.05000

LogP

2.34110

Melting Point

103-106°

Molecular Formula

C10H9F3O3

Molecular Weight

234.17200

PSA

46.53000

Storage condition

Sealed in dry,Room Temperature

Safety Information of 1000566-45-9

Pictograms

Signal Word

 Warning

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

Applications of 1000566-45-9

2-(4-Methoxy-3-(trifluoromethyl)phenyl)acetic acid finds applications primarily in pharmaceutical research due to its potential therapeutic properties. It may serve as an intermediate in the synthesis of bioactive compounds or as a lead structure for developing new drugs targeting inflammation or pain management.

Interaction Studies of 1000566-45-9

Interaction studies involving 2-(4-Methoxy-3-(trifluoromethyl)phenyl)acetic acid are essential to understand its pharmacodynamics and pharmacokinetics. Preliminary studies could include:

  • Binding Affinity Tests: Evaluating interactions with specific receptors or enzymes.
  • Metabolic Stability: Assessing how the compound is metabolized in biological systems.
  • Toxicological Assessments: Determining any adverse effects associated with its use.

These studies are crucial for advancing its potential as a therapeutic agent.

Biological Activity of 1000566-45-9

Research indicates that compounds similar to 2-(4-Methoxy-3-(trifluoromethyl)phenyl)acetic acid exhibit anti-inflammatory and analgesic properties. While specific biological activity data for this compound is limited, the presence of the trifluoromethyl and methoxy groups suggests potential interactions with biological targets, possibly influencing metabolic pathways or receptor interactions. Further studies are necessary to establish definitive biological effects.

Physical sample testing spectrum (NMR) of 1000566-45-9

Physical sample testing spectrum (NMR) of 1000566-45-9