Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (1:2) | CAS No. 1628047-87-9

Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (1:2)

Basic Information

CAS Number

1628047-87-9

Molecular Formula

C19H29Cl3N2

Molecular Weight

391.81 g/mol

AD

Basic Physical Properties

Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCNCC1.Cl.Cl

InChI

InChI=1S/C19H27ClN2.2ClH/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;2*1H

InChIKey

KISZDCHFJKYNFW-UHFFFAOYSA-N

LogP

5.052500000000005

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-((4'-Chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine dihydrochloride
  • 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine dihydrochloride
  • ABT199 intermediate 1
  • 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine dihydrochloride
  • AK171391
  • 1-([2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine 2HCl salt
  • 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine dihydrochloride salt
  • 1-([2-(4-Chlorophenyl)-4,4-di
  • Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]- (Dihydrochloride)
  • Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (1:2)
  • 1-([2-(4-Chlorophenyl)-4,4-dimethyl
  • G6CM4Y7L6K
  • 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride
  • 1-((4'-Chloro-5,5-d

MDL Number

MFCD28334264

FAQ

What are the physical and chemical properties of Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (CAS: 1628047-87-9)?

Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (CAS: 1628047-87-9) is a white crystalline solid with a molecular weight of approximately 443.7 g/mol. It has a solubility of about 2.5 g/L in water and is slightly soluble in common organic solvents. This compound is chemically stable but sensitive to strong oxidizing agents. It is typically used in the synthesis of pharmaceuticals and other organic compounds.

How is Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (CAS: 1628047-87-9) typically synthesized?

Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride is synthesized through a multi-step process involving ring-opening of a cyclohexene oxide, followed by substitution reactions and hydrochlorination. Specific conditions include the use of Lewis acids as catalysts and careful control of reaction temperature and pressure to achieve high yields and selectivity.

What industries use Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (CAS: 1628047-87-9)?

Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (CAS: 1628047-87-9) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer and sensor industries due to its unique chemical properties.

What precautions should be taken when handling Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (CAS: 1628047-87-9)?

When handling Piperazine, 1-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-, hydrochloride (CAS: 1628047-87-9), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to avoid inhalation. In case of a spill, immediately clean up using appropriate absorbent materials and seek professional assistance. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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