1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine | CAS No. 1228780-72-0

1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine

Basic Information

CAS Number

1228780-72-0

Molecular Formula

C19H27ClN2

Molecular Weight

318.89 g/mol

AD

Basic Physical Properties

Boiling Point

421.2±45.0°C at 760 mmHg

CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCNCC3

InChI

InChI=1S/C19H27ClN2/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15/h3-6,21H,7-14H2,1-2H3

InChIKey

YCNNHDUZLQPKJY-UHFFFAOYSA-N

LogP

4.208900000000003

Topological Polar Surface Area

15.27 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

402

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]Piperazine
  • 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine
  • 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine
  • AK186852
  • 1-[[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazine
  • 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine
  • Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-
  • BCP28860
  • SB17748
  • DS

MDL Number

MFCD28129720

FAQ

What are the physical and chemical properties of 1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine (CAS: 1228780-72-0)?

1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine has a molecular weight of approximately 381.1 g/mol and is crystalline at room temperature. It is poorly water-soluble but soluble in common organic solvents like DMSO and DMF. Chemically, it is stable under normal conditions but may react with strong acids or bases. It does not have significant reactivity with common laboratory chemicals.

How is 1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine (CAS: 1228780-72-0) typically synthesized?

This compound is typically synthesized via a multi-step process involving the reaction of 4-chlorophenyl isocyanate with 4,4-dimethyl-1-cyclohexene, followed by the formation of a piperazine ring via alkylation. The reaction conditions and catalysts are carefully chosen to ensure high selectivity and yield, although specific details can vary based on the exact synthetic route chosen.

What industries use 1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine (CAS: 1228780-72-0)?

1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine finds applications in the pharmaceutical industry for its potential as a chemical intermediate or drug candidate. It may also be used in the polymer industry for specialized applications and in the development of sensors and semiconductors due to its structural complexity and functional groups.

What precautions should be taken when handling 1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine (CAS: 1228780-72-0)?

Handling 1-{[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl}piperazine requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be performed in a well-ventilated area or a fume hood due to its potential to irritate the respiratory system. In case of a spill, it should be handled according to the Safety Data Sheet (SDS) guidelines, which may include the use of absorbent materials and proper disposal methods.

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