63816-07-9

Basic information

• Product Name: 1-benzyl-6-methoxy-2-[[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium
• Synonyms: 1-benzyl-6-methoxy-2-[[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium;6-Methoxy-1-phenylmethyl-2-[[3-(3-sulfonatopropyl)benzoselenazol-2(3H)-ylidene]methyl]quinolinium;1-Benzyl-6-methoxy-2-[[3-(3-sulfonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium
• CAS NO: 63816-07-9
• Molecular Formula: C28H26N2O4SSe
• Molecular Weight: 565.54204
• EINECS: 264-488-9
• Mol File: 63816-07-9.mol
• Article Data: 0

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-benzyl-6-methoxy-2-[[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium(CAS DataBase Reference)
• NIST Chemistry Reference: 1-benzyl-6-methoxy-2-[[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium(63816-07-9)
• EPA Substance Registry System: 1-benzyl-6-methoxy-2-[[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium(63816-07-9)

Safety Data

• Hazardous Substances Data: 63816-07-9(Hazardous Substances Data)

Usage

Molecular structure

1-benzyl-6-methoxy-2-[[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium is a complex organic compound with multiple functional groups, including a benzyl group, a methoxy group, a quinolinium group, a benzosenazol-2-ylidene group, and a sulphonatopropyl group.

Benzyl group

A phenyl ring connected to a methyl group (C6H5-CH2-), which can influence the compound's stability, solubility, and reactivity.

Methoxy group

An oxygen atom connected to a methyl group (-OCH3), which can affect the compound's polarity, solubility, and reactivity.

Quinolinium group

A heterocyclic aromatic ring system with a positively charged nitrogen atom (C9H6NH), which can contribute to the compound's electrochemical properties and potential applications in medicinal chemistry.

Benzosenazol-2-ylidene group

A bicyclic aromatic system with a selenium atom and a nitrogen atom (C6H4-S-N), which can influence the compound's electronic properties and reactivity.

Sulphonatopropyl group

A propane chain with a sulfonate group (-CH2-CH2-SO3-), which imparts a negative charge to the molecule and can affect its solubility, stability, and reactivity.

Charge distribution

The presence of the negatively charged sulfonate group and the positively charged quinolinium group results in a charge distribution within the molecule, which can influence its interactions with other molecules and its potential applications in various fields.

Potential applications

Due to its unique combination of functional groups and potential reactivity, 1-benzyl-6-methoxy-2-[[3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]quinolinium may have potential applications in medicine, materials science, and chemical research. However, further studies and characterization are needed to fully understand its potential.

Stability and solubility

The presence of various functional groups, such as the methoxy and sulphonatopropyl groups, can affect the compound's stability and solubility in different solvents, which is important for its potential applications and handling.

Reactivity

The presence of multiple functional groups with different reactivities can lead to various chemical reactions and transformations, making the compound a potential candidate for synthesis and modification in chemical research and applications.

InChI:InChI=1/C28H26N2O4SSe/c1-34-24-14-15-26-22(18-24)12-13-23(30(26)20-21-8-3-2-4-9-21)19-28-29-25-10-5-6-11-27(25)36(28)17-7-16-35(31,32)33/h2-6,8-15,18-19H,7,16-17,20H2,1H3