26270-58-6

Basic information

• Product Name: 2-({5-[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl}oxy)-N,N-dimethylethanaminium (2Z)-3-carboxyprop-2-enoate
• CAS NO: 26270-58-6
• Molecular Formula: C₂₇H₂₇Cl₂NO₉
• Molecular Weight: 580.4106
• Mol File: 26270-58-6.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 607.2°C at 760 mmHg
• Flash Point: 321°C
• Vapor Pressure: 1.09E-14mmHg at 25°C
• CAS DataBase Reference: 2-({5-[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl}oxy)-N,N-dimethylethanaminium (2Z)-3-carboxyprop-2-enoate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-({5-[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl}oxy)-N,N-dimethylethanaminium (2Z)-3-carboxyprop-2-enoate(26270-58-6)
• EPA Substance Registry System: 2-({5-[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl}oxy)-N,N-dimethylethanaminium (2Z)-3-carboxyprop-2-enoate(26270-58-6)

Safety Data

• Hazardous Substances Data: 26270-58-6(Hazardous Substances Data)

Usage

Molecular structure

The compound has a complex structure containing a benzofuran ring, an N,N-dimethylethanaminium group, a carboxyprop-2-enoate group, and a 3,4-dichlorophenylprop-2-enoyl group.

Aromatic rings

The presence of a benzofuran ring, which is a combination of a benzene ring and a furan ring, contributes to the compound's stability and potential biological activity.

Double bonds

The compound contains multiple double bonds, specifically within the prop-2-enoyl and carboxyprop-2-enoate groups, which can participate in various chemical reactions and contribute to its reactivity.

Carboxylic acid moieties

The presence of carboxylic acid groups in the carboxyprop-2-enoate group allows for the formation of hydrogen bonds and potential interactions with other molecules, which may be relevant for biological or pharmacological activity.

Quaternary ammonium salt

The compound is classified as a quaternary ammonium salt, which is a positively charged ion. This feature may contribute to its solubility in polar solvents and its ability to interact with negatively charged molecules.

Potential biological/pharmacological activity

Given the compound's structural complexity and the presence of various functional groups, it may have potential biological or pharmacological activity, although further research would be needed to confirm this.

Charge distribution

The positive charge on the N,N-dimethylethanaminium group and the negative charge on the carboxyprop-2-enoate group result in a charge distribution that could facilitate interactions with other charged molecules or ions.

Methoxy groups

The presence of two methoxy groups (-OCH3) on the benzofuran ring may influence the compound's solubility, stability, and potential biological activity by providing steric hindrance and electronic effects.

Stereochemistry

The compound has a specific stereochemistry, with the (2E) configuration in the prop-2-enoyl group, which may influence its interactions with other molecules and its biological activity.