1-Cyclohexylpiperazine

Base Information

• Chemical Name: 1-Cyclohexylpiperazine
• CAS No.: 17766-28-8
• Molecular Formula: C10H20N2
• Molecular Weight: 168.282
• Hs Code.: 29335990
• European Community (EC) Number: 241-750-0
• DSSTox Substance ID: DTXSID40170357
• Nikkaji Number: J287.149A
• Wikipedia: 1-Cyclohexylpiperazine
• Wikidata: Q4545777
• ChEMBL ID: CHEMBL574182
• Mol file: 17766-28-8.mol

Synonyms:1-cyclohexylpiperazine

Chemical Property of 1-Cyclohexylpiperazine

Chemical Property:

• Appearance/Colour: Solid.
• Vapor Pressure: 0.016mmHg at 25°C
• Melting Point: 28-32 °C
• Refractive Index: 1.6011
• Boiling Point: 255.7 °C at 760 mmHg
• PKA: 9.25±0.10(Predicted)
• Flash Point: 103.3 °C
• PSA: 15.27000
• Density: 0.969 g/cm³
• LogP: 1.49100
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.162648646
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

98%, ^*data from raw suppliers

1-Cyclohexylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)N2CCNCC2
• Uses: 1-Cyclohexylpiperazine is an σ1 and σ2 receptor ligands with diagnostic and therapeutic potentials.

Technology Process of 1-Cyclohexylpiperazine

There total 6 articles about 1-Cyclohexylpiperazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.1%

4-cyclohexyl-piperazine-1-carboxylic acid tert-butyl ester (1224935-95-8) → cyclohexylpiperazine (17766-28-8)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 20 ℃; for 18h;

Reference yield: 65.4%

cyclohexylpiperazine Hydrochloride (245487-40-5) → cyclohexylpiperazine (17766-28-8)

Guidance literature:

With water; sodium hydroxide; In dichloromethane; pH=14; Large scale;

Reference yield: 48.0%

piperazine (110-85-0) + 1-bromocyclohexane (108-85-0) → cyclohexylpiperazine (17766-28-8)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; for 24h; Inert atmosphere; Schlenk technique; Reflux;

DOI:10.1039/c7dt04344a

upstream raw materials:

piperazine

1-bromocyclohexane

3-(2-Cyclohexylamino-ethyl)-oxazolidin-2-one

4-cyclohexyl-piperazine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-n-propyl]piperazine

(4-Cyclohexyl-piperazin-1-yl)-[4-((R)-4-methoxy-benzenesulfinyl)-phenyl]-acetonitrile

Sch 57790

Refernces

• 1、 Mu?oz-Osses, Michelle,Godoy, Fernando,Fierro, Angélica,Gómez, Alejandra,Metzler-Nolte, Nils. "New organometallic imines of rhenium(i) as potential ligands of GSK-3β: Synthesis, characterization and biological studies". . p. 1233 - 1242. Retrieved 2018/02/07.
• 2、 Poindexter, Graham S.,Bruce, Marc A.,LeBoulluec, Karen L.,Monkovic, Ivo. "Use of 2-Oxazolidinones As Latent Aziridine Equivalents. III. Preparation of N-Substituted Piperazines.". . p. 7331 - 7334. Retrieved 2007/10/02.