68072-54-8

Basic information

• Product Name: 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-(mesylamino)-2-oxoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5,6-dimethylbenzoxazolium--ate
• Synonyms: Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-5,6-dimethyl-, inner salt; 1-Ethyl-2-(3-(3-ethyl-5,6-dimethylbenzoxazolinylidene)-2-propenyl)-3-((N-(methylsulfonylcarbamyl)methyl)-5,6-dichlorobenzimidazolium betaine; 2-(3-(5,6-Dichloro-1-ethyl-1,3-dihydro-3-(2-(mesylamino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)prop-1-enyl)-3-ethyl-5,6-dimethylbenzoxazolium ateC26H28Cl2N4O4S; Benzoxazolium, 2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(2-((methylsulfonyl)amino)-2-oxoethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-5,6-dimethyl-, inner salt; (1Z)-2-{(2E)-5,6-dichloro-3-ethyl-2-[(2E)-3-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-en-1-ylidene]-2,3-dihydro-1H-benzimidazol-1-yl}-N-(methylsulfonyl)ethanimidate
• CAS NO: 68072-54-8
• Molecular Formula: C₂₆H₂₈Cl₂N₄O₄S
• Molecular Weight: 563.4959
• EINECS: 268-348-8
• Mol File: 68072-54-8.mol
• Article Data: 0

Chemical Properties

• CAS DataBase Reference: 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-(mesylamino)-2-oxoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5,6-dimethylbenzoxazolium--ate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-(mesylamino)-2-oxoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5,6-dimethylbenzoxazolium--ate(68072-54-8)
• EPA Substance Registry System: 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-(mesylamino)-2-oxoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5,6-dimethylbenzoxazolium--ate(68072-54-8)

Safety Data

• Hazardous Substances Data: 68072-54-8(Hazardous Substances Data)

Usage

Functional Groups

Benzimidazolium
Benzoxazolium
Chloro
Ethyl
Methyl
Mesylamino
Oxoethyl

Structure

Contains a benzimidazolium core with additional prop-1-enyl and benzoxazolium groups.
Chloro, ethyl, and methyl groups are attached to various positions on the benzimidazolium and benzoxazolium rings.
Mesylamino and oxoethyl groups are also present in the structure.

Applications

Pharmaceuticals: Potential as a pharmacophore or precursor for drug synthesis due to its complex structure.
Materials Science: Could be used in the development of novel materials with specific properties.
Organic Chemistry: Valuable for studying reactivity and synthesis strategies due to its diverse functional groups.

Potential Uses

Drug development targeting specific biological pathways.
Synthesis of functional materials for electronic or optical applications.
Investigation of organic reaction mechanisms and catalysis.

Further Information

Detailed studies are necessary to understand its properties, reactivity, and potential hazards.
Toxicological and environmental assessments would be crucial for its safe handling and disposal.
Structural modifications could lead to derivatives with enhanced properties or reduced toxicity.