2-(4,4-Difluoropiperidin-1-yl)ethanamine

Base Information

• Chemical Name: 2-(4,4-Difluoropiperidin-1-yl)ethanamine
• CAS No.: 605659-03-8
• Molecular Formula: C7H14F2N2
• Molecular Weight: 164.198
• Hs Code.: 2933399090
• European Community (EC) Number: 673-957-0
• DSSTox Substance ID: DTXSID40374292
• Wikidata: Q82162820
• Mol file: 605659-03-8.mol

Synonyms:605659-03-8;2-(4,4-difluoropiperidin-1-yl)ethanamine;2-(4,4-Difluoropiperidin-1-yl)ethylamine;4,4-difluoroaminoethylpiperidine;4,4-Difluoropiperidine-1-ethanamine;MFCD08461787;2-(4,4-DIFLUOROPIPERIDIN-1-YL)ETHAN-1-AMINE;2-(4,4-difluoropiperidinyl)ethylamine;1-piperidineethanamine, 4,4-difluoro-;1-Piperidineethanamine,4,4-difluoro-;SCHEMBL1255097;AMY6071;Difluoropiperidin-1-yl)ethanamine;DTXSID40374292;MCFD08461787;AKOS006289964;AB45731;DS-9808;SY237161;CS-0045410;EN300-370605;N13066;2-(4,4-DIFLUOROPIPERIDIN-1-YI)ETHANAMINE

Chemical Property of 2-(4,4-Difluoropiperidin-1-yl)ethanamine

Chemical Property:

• Vapor Pressure: 0.398mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 196.5 °C at 760 mmHg
• Flash Point: 72.6 °C
• PSA: 29.26000
• Density: 1.11 g/cm³
• LogP: 1.31440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 164.11250478
• Heavy Atom Count: 11
• Complexity: 118

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4,4-Difluoropiperidin-1-yl)ethanamine 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1(F)F)CCN

Technology Process of 2-(4,4-Difluoropiperidin-1-yl)ethanamine

There total 3 articles about 2-(4,4-Difluoropiperidin-1-yl)ethanamine 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: 94.0%

→ 2-(4,4-difluoropiperidin-1-yl)ethanamine (605659-03-8)

Guidance literature:

Reference yield: 80.0%

2-(4,4-difluoropiperidin-1-yl)acetonitrile (824413-96-9) → 2-(4,4-difluoropiperidin-1-yl)ethanamine (605659-03-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃;

Reference yield:

4,4-difluoropiperidine (21987-29-1) → 2-(4,4-difluoropiperidin-1-yl)ethanamine (605659-03-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 1 h / 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 0 - 20 °C

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; acetonitrile;

upstream raw materials:

2-(4,4-difluoropiperidin-1-yl)acetonitrile

4,4-difluoropiperidine

Downstream raw materials:

C₂₅H₂₃F₅N₄O₂

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-{[4-(2,6-dimethyl-pyridin-3-yl)oxypyridin-2-yl]amino}benzamide

Refernces

• 1、 -. "AMIDO-SUBSTITUTED AZOLE COMPOUNDS". Page/Page column 204. . Retrieved 2015/11/02.
• 2、 Cowley, Phillip M.,Baker, James,Barn, David R.,Buchanan, Kirsteen I.,Carlyle, Ian,Clark, John K.,Clarkson, Thomas R.,Deehan, Maureen,Edwards, Darren,Goodwin, Richard R.,Jaap, David,Kiyoi, Yasuko,Mort, Chris,Palin, Ronald,Prosser, Alan,Walker, Glenn,Ward, Nick,Wishart, Grant,Young, Trevor. "The discovery of novel indole-2-carboxamides as cannabinoid CB1 receptor antagonists". scheme or table. p. 497 - 501. Retrieved 2011/02/24.