structure of Methyl 2-(bromomethyl)-3-iodobenzoate

Methyl 2-(bromomethyl)-3-iodobenzoate

CAS No.: 312747-81-2
M. Wt: 354.97
M. Fa: C9H8BrIO2
InChI Key: CUEGDTXCXXXFCA-UHFFFAOYSA-N

Names and Identifiers of Methyl 2-(bromomethyl)-3-iodobenzoate

CAS Number

312747-81-2

MDL Number

MFCD27949192

IUPAC Name

methyl 2-(bromomethyl)-3-iodobenzoate

InChI

InChI=1S/C9H8BrIO2/c1-13-9(12)6-3-2-4-8(11)7(6)5-10/h2-4H,5H2,1H3

InChIKey

CUEGDTXCXXXFCA-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=C(C(=CC=C1)I)CBr

UNSPSC Code

12352100

Physical and chemical properties of Methyl 2-(bromomethyl)-3-iodobenzoate

H Bond Acceptors

1

H Bond Donors

0

LogP

3.67840460966667

Molecular Formula

C9H8BrIO2

Molecular Weight

354.97

Safety Information of Methyl 2-(bromomethyl)-3-iodobenzoate

Pictograms

Signal Word

 Warning

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

Applications of Methyl 2-(bromomethyl)-3-iodobenzoate

Methyl 2-(bromomethyl)-3-iodobenzoate is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its unique structure allows it to serve as a precursor for:

  • Pharmaceutical Compounds: It is utilized in the synthesis of drugs with potential anti-cancer properties.
  • Organic Synthesis: The compound is valuable in creating more complex organic molecules through various synthetic pathways.
  • Research

Interaction Studies of Methyl 2-(bromomethyl)-3-iodobenzoate

Interaction studies involving methyl 2-(bromomethyl)-3-iodobenzoate are essential for understanding its reactivity and biological implications. Research typically focuses on:

  • Reactivity with Nucleophiles: Investigating how different nucleophiles interact with the compound can provide insights into its potential applications in medicinal chemistry.
  • Impact on Biological Systems: Studies may explore how this compound interacts with biological targets, potentially leading to the development of new therapeutic agents.

Biological Activity of Methyl 2-(bromomethyl)-3-iodobenzoate

While specific biological activity data for methyl 2-(bromomethyl)-3-iodobenzoate is limited, compounds with similar structures often exhibit significant pharmacological properties. The presence of halogen atoms typically enhances biological activity by influencing lipophilicity and reactivity. Compounds with similar structures have been studied for their potential as anti-cancer agents and other therapeutic applications.

Retrosynthesis analysis of Methyl 2-(bromomethyl)-3-iodobenzoate

  • Route#1

    Cas:52570-33-9
    Cas:312747-81-2