148714-92-5

Basic information

• Product Name: 1-{[(2S,3aR)-3a-ethyl-9-(ethylsulfanyl)-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl]methyl}-1H-imidazole hydrochloride (1:1)
• CAS NO: 148714-92-5
• Molecular Formula: C₂₁H₂₉ClN₂S
• Molecular Weight: 376.9864
• Mol File: 148714-92-5.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 494.6°C at 760 mmHg
• Flash Point: 252.9°C
• Vapor Pressure: 1.94E-09mmHg at 25°C
• CAS DataBase Reference: 1-{[(2S,3aR)-3a-ethyl-9-(ethylsulfanyl)-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl]methyl}-1H-imidazole hydrochloride (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: 1-{[(2S,3aR)-3a-ethyl-9-(ethylsulfanyl)-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl]methyl}-1H-imidazole hydrochloride (1:1)(148714-92-5)
• EPA Substance Registry System: 1-{[(2S,3aR)-3a-ethyl-9-(ethylsulfanyl)-2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl]methyl}-1H-imidazole hydrochloride (1:1)(148714-92-5)

Safety Data

• Hazardous Substances Data: 148714-92-5(Hazardous Substances Data)

Usage

Chemical structure

The compound consists of a hydrochloride salt of an imidazole derivative, containing an imidazole ring and a phenalen moiety, as well as an ethyl group and an ethylsulfanyl group.

Stereochemistry

The compound has a specific stereochemistry, with the 2S,3aR configuration at the 3a-ethyl and 9-(ethylsulfanyl) positions.

Hydrogen bonding

The imidazole ring in the compound can participate in hydrogen bonding interactions, which may contribute to its pharmacological properties.

Solubility

The presence of the hydrochloride salt form suggests that the compound may have improved solubility in water compared to the free base form, which can be important for pharmaceutical formulations.

Pharmacological properties

Imidazole derivatives are known for their diverse biological activities, and this compound may have potential pharmacological properties or be utilized in pharmaceutical research.

Receptor and enzyme interactions

The compound may act as a ligand for various receptors and enzymes, which could contribute to its pharmacological effects.

Medicinal applications

The hydrochloride salt form of the compound suggests that it may be used for medicinal purposes or in the formulation of pharmaceutical products.

Stability

The compound may have stability under certain conditions, which can be important for its use in pharmaceutical research and development.

Synthesis

The compound can be synthesized through various chemical reactions, involving the formation of the imidazole ring and the attachment of the phenalen moiety, ethyl group, and ethylsulfanyl group.

Purity

The purity of the compound can be determined through analytical techniques such as high-performance liquid chromatography (HPLC) or mass spectrometry, which can be important for its use in research and pharmaceutical applications.