1-[2-(3-Bromophenyl)prop-1-en-1-yl]-2-(2-cyclohexylethyl)piperidine

Base Information

• Chemical Name: 1-[2-(3-Bromophenyl)prop-1-en-1-yl]-2-(2-cyclohexylethyl)piperidine
• CAS No.: 60601-77-6
• Molecular Formula: C₂₂H₃₂BrN
• Molecular Weight: 390.407
• DSSTox Substance ID: DTXSID70707776
• Mol file: 60601-77-6.mol

Synonyms:60601-77-6;DTXSID70707776;1-[2-(3-Bromophenyl)prop-1-en-1-yl]-2-(2-cyclohexylethyl)piperidine

Chemical Property of 1-[2-(3-Bromophenyl)prop-1-en-1-yl]-2-(2-cyclohexylethyl)piperidine

Chemical Property:

• XLogP3: 8.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 389.17181
• Heavy Atom Count: 24
• Complexity: 399

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CN1CCCCC1CCC2CCCCC2)C3=CC(=CC=C3)Br

Technology Process of 1-[2-(3-Bromophenyl)prop-1-en-1-yl]-2-(2-cyclohexylethyl)piperidine

There total 3 articles about 1-[2-(3-Bromophenyl)prop-1-en-1-yl]-2-(2-cyclohexylethyl)piperidine 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:

1-(3-Bromophenyl)ethanone (2142-63-4) → 1-[(E)-2-(3-Bromo-phenyl)-propenyl]-2-(2-cyclohexyl-ethyl)-piperidine (60601-77-6)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium isopropoxide / propan-2-ol / 1.) 7 deg C, 5 h, 2.) RT, 48 h, 3.) reflux, 1 h

2: aq. NaOH / ethanol / 2 h / Heating

3: benzene / 18 h / Heating

With sodium hydroxide; sodium isopropylate; In ethanol; isopropyl alcohol; benzene;

DOI:10.1021/jm00378a027

Reference yield:

ethyl 3'-bromo-3-methyl-2,3-epoxybenzenepropanoic acid ester (81606-42-0) → 1-[(E)-2-(3-Bromo-phenyl)-propenyl]-2-(2-cyclohexyl-ethyl)-piperidine (60601-77-6)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / ethanol / 2 h / Heating

2: benzene / 18 h / Heating

With sodium hydroxide; In ethanol; benzene;

DOI:10.1021/jm00378a027

Reference yield:

2-(2-cyclohexylethyl)piperidine (51523-85-4) + 2-(3-bromophenyl)propanal (59452-90-3) → 1-[(E)-2-(3-Bromo-phenyl)-propenyl]-2-(2-cyclohexyl-ethyl)-piperidine (60601-77-6)

Guidance literature:

In benzene; for 18h; Heating;

DOI:10.1021/jm00378a027

upstream raw materials:

2-(2-cyclohexylethyl)piperidine

2-(3-bromophenyl)propanal

1-(3-Bromophenyl)ethanone

ethyl 3'-bromo-3-methyl-2,3-epoxybenzenepropanoic acid ester