structure of Methyl 2-(3-bromo-4-(methoxymethoxy)phenyl)acetate

Methyl 2-(3-bromo-4-(methoxymethoxy)phenyl)acetate

CAS No.: 100126-08-7
M. Wt: 289.12300
M. Fa: C11H13BrO4
InChI Key: HJCVEBWBMCRAQE-UHFFFAOYSA-N

Names and Identifiers of 100126-08-7

CAS Number

100126-08-7

MDL Number

MFCD27665344

IUPAC Name

methyl 2-[3-bromo-4-(methoxymethoxy)phenyl]acetate

InChI

InChI=1S/C11H13BrO4/c1-14-7-16-10-4-3-8(5-9(10)12)6-11(13)15-2/h3-5H,6-7H2,1-2H3

InChIKey

HJCVEBWBMCRAQE-UHFFFAOYSA-N

Canonical SMILES

COCOC1=C(C=C(C=C1)CC(=O)OC)Br

UNSPSC Code

12352100

Physical and chemical properties of 100126-08-7

Boiling Point

128-130 °C(Press: 3 Torr)

Density

1.408±0.06 g/cm3(Predicted)

Exact Mass

288.00000

LogP

2.14730

Molecular Formula

C11H13BrO4

Molecular Weight

289.12300

PSA

44.76000

Safety Information of 100126-08-7

Pictograms

Signal Word

 Warning

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

Applications of 100126-08-7

Methyl 2-(3-bromo-4-(methoxymethoxy)phenyl)acetate has potential applications in various fields:

  • Pharmaceuticals: Its derivatives may serve as precursors for drug synthesis due to their biological activity.
  • Material Science: It can be used in the development of new materials, especially those requiring specific electronic or optical properties.
  • Agricultural Chemicals: Compounds with similar structures are often explored for use as agrochemicals .

Interaction Studies of 100126-08-7

Interaction studies involving methyl 2-(3-bromo-4-(methoxymethoxy)phenyl)acetate focus on its reactivity with biological macromolecules such as proteins and nucleic acids. Preliminary studies suggest that:

  • The bromo substituent may enhance binding affinity to certain biological targets.
  • The methoxymethoxy group could influence solubility and permeability across cellular membranes, affecting bioavailability.

Further research is needed to elucidate these interactions and their implications for drug design.

Biological Activity of 100126-08-7

  • Antimicrobial Effects: Similar brominated compounds have shown activity against various bacterial strains.
  • Anticancer Properties: Some derivatives have been studied for their ability to inhibit cancer cell proliferation.
  • Anti-inflammatory Activity: Compounds with methoxy groups are often evaluated for their anti-inflammatory effects .

Retrosynthesis analysis of 100126-08-7

  • Route#1

    Cas:14199-15-6
    Cas:100126-08-7