structure of methyl 2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoate

methyl 2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoate

CAS No.: 879180-89-9
M. Wt: 317.13300
M. Fa: C12H13BrO5
InChI Key: KCEUZNIQQOWRFH-UHFFFAOYSA-N

Names and Identifiers of 879180-89-9

CAS Number

879180-89-9

MDL Number

MFCD07434218

IUPAC Name

methyl 2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoate

InChI

InChI=1S/C12H13BrO5/c1-7(12(15)17-3)18-11-9(13)4-8(6-14)5-10(11)16-2/h4-7H,1-3H3

InChIKey

KCEUZNIQQOWRFH-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C(C)OC1=C(Br)C=C(C=O)C=C1OC

UNSPSC Code

12352100

Physical and chemical properties of 879180-89-9

Exact Mass

315.99500

LogP

2.21050

Molecular Formula

C12H13BrO5

Molecular Weight

317.13300

PSA

61.83000

Safety Information of 879180-89-9

Pictograms

Signal Word

 Warning

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

Applications of 879180-89-9

Methyl 2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoate has several applications:

  • Pharmaceutical Development: Due to its potential biological activities, it is used as a lead compound in drug discovery.
  • Research Chemical: It serves as a reference standard in pharmacological studies.
  • Chemical Intermediate: It can be used in the synthesis of more complex molecules for various applications in medicinal chemistry.

Interaction Studies of 879180-89-9

Interaction studies are crucial for understanding the pharmacodynamics and pharmacokinetics of methyl 2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoate. Preliminary data suggest interactions with specific enzymes and receptors that may modulate inflammatory pathways. Further studies using molecular docking and biochemical assays are necessary to elucidate these interactions fully and assess their therapeutic potential.

Biological Activity of 879180-89-9

The biological activity of methyl 2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoate is an area of ongoing research. Preliminary studies suggest potential anti-inflammatory and antimicrobial properties. The presence of the methoxy and formyl groups may contribute to its interaction with biological targets, although specific mechanisms of action require further investigation. Additionally, compounds with similar structures have shown promise in cancer therapy, indicating that this compound may also possess anticancer properties.