2-(2-Piperidinoethyl)-1-indanone

Base Information

• Chemical Name: 2-(2-Piperidinoethyl)-1-indanone
• CAS No.: 93024-68-1
• Molecular Formula: C₁₆H₂₁NO
• Molecular Weight: 243.349
• DSSTox Substance ID: DTXSID20918774
• Mol file: 93024-68-1.mol

Synonyms:BRN 0186498;2-(2-Piperidinoethyl)-1-indanone;1-Indanone, 2-(2-piperidinoethyl)-;4-20-00-00902 (Beilstein Handbook Reference);93024-68-1;DTXSID20918774;LS-81337;2-[2-(Piperidin-1-yl)ethyl]-2,3-dihydro-1H-inden-1-one

Chemical Property of 2-(2-Piperidinoethyl)-1-indanone

Chemical Property:

• Vapor Pressure: 1.16E-05mmHg at 25°C
• Boiling Point: 369.8°C at 760 mmHg
• Flash Point: 135.7°C
• Density: 1.076g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 243.162314293
• Heavy Atom Count: 18
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCC2CC3=CC=CC=C3C2=O

Technology Process of 2-(2-Piperidinoethyl)-1-indanone

There total 5 articles about 2-(2-Piperidinoethyl)-1-indanone 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-benzyl-2-(2-piperidin-1-yl-ethyl)-malonic acid (1026966-41-5) → 2-[2-piperidin-1-ylethyl]indan-1-one (93024-68-1)

Guidance literature:

With PPA; at 140 - 150 ℃; for 0.333333h;

DOI:10.1021/jm020895l

Reference yield:

2-(piperidin-4-yl)ethyl chloride (1932-03-2) → 2-[2-piperidin-1-ylethyl]indan-1-one (93024-68-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaH / toluene / 1 h / Heating

1.2: toluene / 6 h / Heating

2.1: aq. NaOH / ethanol / 4 h / Heating

3.1: polyphosphoric acid / 0.33 h / 140 - 150 °C

With sodium hydroxide; PPA; sodium hydride; In ethanol; toluene;

DOI:10.1021/jm020895l

Reference yield:

diethyl 2-benzylmalonate (607-81-8) → 2-[2-piperidin-1-ylethyl]indan-1-one (93024-68-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaH / toluene / 1 h / Heating

1.2: toluene / 6 h / Heating

2.1: aq. NaOH / ethanol / 4 h / Heating

3.1: polyphosphoric acid / 0.33 h / 140 - 150 °C

With sodium hydroxide; PPA; sodium hydride; In ethanol; toluene;

DOI:10.1021/jm020895l

upstream raw materials:

2-(piperidin-4-yl)ethyl chloride

2-benzyl-2-(2-piperidin-1-yl-ethyl)-malonic acid

diethyl 2-benzylmalonate

2-benzyl-2-(2-piperidin-1-ylethyl)malonic acid diethyl ester

Refernces