2-(4-Methyl-1-piperazinyl)ethyl bicyclohexyl-1-carboxylate

Base Information

• Chemical Name: 2-(4-Methyl-1-piperazinyl)ethyl bicyclohexyl-1-carboxylate
• CAS No.: 3563-46-0
• Molecular Formula: C₂₀H₃₆N₂O₂
• Molecular Weight: 336.518
• DSSTox Substance ID: DTXSID30189135
• Wikidata: Q83061098
• Mol file: 3563-46-0.mol

Synonyms:J.L. 1314;BRN 0268277;2-(4-Methyl-1-piperazinyl)ethyl bicyclohexyl-1-carboxylate;2-(4-Methyl-1-piperazinyl)ethyl (bicyclohexyl)-1-carboxylate;(Bicyclohexyl)-1-carboxylic acid, 2-(4-methyl-1-piperazinyl)ethyl ester;3563-46-0;4-23-00-00092 (Beilstein Handbook Reference);DTXSID30189135;C20-H36-N2-O2;LS-43731

Chemical Property of 2-(4-Methyl-1-piperazinyl)ethyl bicyclohexyl-1-carboxylate

Chemical Property:

• Boiling Point: 438.9°Cat760mmHg
• Flash Point: 219.2°C
• PSA: 32.78000
• Density: 1.039g/cm³
• LogP: 3.18360
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 336.277678395
• Heavy Atom Count: 24
• Complexity: 392

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CCOC(=O)C2(CCCCC2)C3CCCCC3

Technology Process of 2-(4-Methyl-1-piperazinyl)ethyl bicyclohexyl-1-carboxylate

There total 2 articles about 2-(4-Methyl-1-piperazinyl)ethyl bicyclohexyl-1-carboxylate 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:

2-(4-methylpiperazinyl)ethanol (5464-12-0) → bicyclohexyl-1-carboxylic acid-[2-(4-methyl-piperazino)-ethyl ester] (3563-46-0)

Guidance literature:

With sodium; anschl. mit <1-Chlor-cyclohexyl>-cyclohexyl-keton auf 100grad;

Reference yield:

1-methyl-piperazine (109-01-3) → bicyclohexyl-1-carboxylic acid-[2-(4-methyl-piperazino)-ethyl ester] (3563-46-0)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: benzene

With methanol; benzene;

upstream raw materials:

2-(4-methylpiperazinyl)ethanol

1-methyl-piperazine