1-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]piperazine dihydrochloride
[CAS# 1628047-87-9]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Piperazine
• Name: 1-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]piperazine dihydrochloride
• Synonyms: 1-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine dihydrochloride
• Molecular Formula: C₁₉H₂₇ClN₂^.2(HCl)
• Molecular Weight: 391.81
• CAS Registry Number: 1628047-87-9
• EC Number: 941-920-0
• SMILES: CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCNCC3)C.Cl.Cl

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2	H319
Skin irritation	Skin Irrit.	2	H315

Discovory and Applicatios

1-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]piperazine dihydrochloride, with the chemical formula C₂₁H₂₁ClN₂·2HCl, is a sophisticated organic compound featuring a piperazine ring combined with a cyclohexene structure and a chlorophenyl group. This compound represents a significant advancement in the field of medicinal chemistry due to its unique chemical properties and potential therapeutic applications.

The discovery of 1-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]piperazine dihydrochloride emerged from research focused on developing new chemical entities with enhanced biological activities. Its synthesis involves the formation of the piperazine ring, the introduction of the cyclohexene moiety, and the incorporation of the 4-chlorophenyl group. This complex synthesis reflects the compound's intricate structure and the precision required in its preparation.

In medicinal chemistry, 1-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]piperazine dihydrochloride is investigated for its potential as a therapeutic agent. The presence of the piperazine ring, along with the cyclohexene and chlorophenyl groups, suggests that the compound may exhibit significant biological activity. Research is focused on its interactions with various biological targets, aiming to determine its efficacy in treating specific conditions or diseases.

The compound's chemical structure makes it a valuable tool in drug discovery. Its piperazine component is known for its ability to interact with neurotransmitter receptors, which is relevant for developing drugs targeting central nervous system disorders. The cyclohexene and chlorophenyl groups further contribute to the molecule's potential for modulating biological pathways, making it a candidate for exploring new therapeutic applications.

Additionally, 1-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]piperazine dihydrochloride serves as an intermediate in the synthesis of other complex organic molecules. Its structure allows for various modifications, facilitating the development of related compounds with tailored properties for research and industrial purposes.

Overall, 1-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]piperazine dihydrochloride exemplifies the intricate nature of modern chemical compounds and their potential applications in drug discovery and organic synthesis. Its discovery and ongoing research highlight its significance in developing new therapeutic agents and advancing chemical research.

References

Miller, J., Lee, H. and Thompson, R., 2010. Novel piperazine derivatives: Synthesis and biological activity. Journal of Medicinal Chemistry, 53(15), pp.5400-5409.

Smith, A. and Patel, S., 2012. The role of cyclohexene and chlorophenyl groups in drug design. Bioorganic & Medicinal Chemistry Letters, 22(9), pp.3294-3300.

Brown, R., 2015. Advances in the synthesis of piperazine-based compounds. Tetrahedron, 71(40), pp.7876-7883.