structure of Ethyl 2-(3-bromophenoxy)propanoate

Ethyl 2-(3-bromophenoxy)propanoate

CAS No.: 401791-40-0
M. Wt: 273.12300
M. Fa: C11H13BrO3
InChI Key: YHUQGBQWTMLYAB-UHFFFAOYSA-N
Appearance: Clear

Names and Identifiers of Ethyl 2-(3-bromophenoxy)propanoate

CAS Number

401791-40-0

MDL Number

MFCD16089525

IUPAC Name

ethyl 2-(3-bromophenoxy)propanoate

InChI

InChI=1S/C11H13BrO3/c1-3-14-11(13)8(2)15-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3

InChIKey

YHUQGBQWTMLYAB-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C(C)OC1=CC=CC(Br)=C1

UNSPSC Code

12352100

Physical and chemical properties of Ethyl 2-(3-bromophenoxy)propanoate

Exact Mass

272.00500

LogP

2.77950

Molecular Formula

C11H13BrO3

Molecular Weight

273.12300

PSA

35.53000

Safety Information of Ethyl 2-(3-bromophenoxy)propanoate

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of Ethyl 2-(3-bromophenoxy)propanoate

Ethyl 2-(3-bromophenoxy)propanoate has diverse applications across several fields:

  • Organic Synthesis: It serves as an intermediate for synthesizing more complex organic molecules.
  • Pharmaceutical Development: Due to its potential biological activity, it may be explored as a lead compound in drug discovery.
  • Agricultural Chemicals: This compound could be utilized in the formulation of agrochemicals due to its structural properties.

Interaction Studies of Ethyl 2-(3-bromophenoxy)propanoate

Studies focusing on the interactions of ethyl 2-(3-bromophenoxy)propanoate with biological targets are essential for understanding its potential therapeutic applications. Research may involve:

  • Investigating binding affinities with specific enzymes or receptors.
  • Assessing its effects on cellular pathways and biological processes.
  • Evaluating its safety and efficacy in preclinical models.

Biological Activity of Ethyl 2-(3-bromophenoxy)propanoate

Research indicates that compounds similar to ethyl 2-(3-bromophenoxy)propanoate may exhibit various biological activities. These include:

  • Antimicrobial Properties: Some brominated compounds are known for their antibacterial and antifungal activities.
  • Enzyme Inhibition: The structural characteristics of ethyl 2-(3-bromophenoxy)propanoate may allow it to interact with specific enzymes, potentially acting as an inhibitor.
  • Receptor Binding: The compound's ability to mimic biologically active molecules suggests it could bind to specific receptors, influencing physiological responses.

Retrosynthesis analysis of Ethyl 2-(3-bromophenoxy)propanoate

  • Route#1

    Cas:57057-80-4
    Cas:591-20-8
    Cas:401791-40-0
  • Route#2

    Cas:535-11-5
    Cas:591-20-8
    Cas:401791-40-0