N-phenylpiperidin-3-amine

Base Information

• Chemical Name: N-phenylpiperidin-3-amine
• CAS No.: 100240-05-9
• Molecular Formula: C₁₁H₁₆N₂
• Molecular Weight: 176.261
• European Community (EC) Number: 842-467-0
• DSSTox Substance ID: DTXSID30393119
• Nikkaji Number: J2.456.666H
• Mol file: 100240-05-9.mol

Synonyms:N-phenylpiperidin-3-amine;N-Phenyl-3-piperidinamine;100240-05-9;N-Phenylpiperidine-3-amine;SCHEMBL4885485;DTXSID30393119;MFCD03426313;AKOS010904576;SB42812;PD143233;CS-0435137;FT-0767867;EN300-108593;Z838921656

Chemical Property of N-phenylpiperidin-3-amine

Chemical Property:

• Vapor Pressure: 0.000543mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 312 °C at 760 mmHg
• PKA: 9.35±0.10(Predicted)
• Flash Point: 185.3 °C
• PSA: 24.06000
• Density: 1.052 g/cm³
• LogP: 2.25230
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

N-Phenyl-3-piperidinamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)NC2=CC=CC=C2

Technology Process of N-phenylpiperidin-3-amine

There total 11 articles about N-phenylpiperidin-3-amine 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: 97.0%

→ phenyl-(S)-piperidin-3-ylamine (1589082-69-8,100240-05-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane;

Reference yield: 90.0%

1-(tert-butoxycarbonyl)-3-(phenylamino)piperidine (183207-67-2) → 3-(phenylamino)piperidine (100240-05-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/jo0487193

Reference yield: 56.0%

Phenyl-pyridin-3-yl-amine (5024-68-0) → 3-(phenylamino)piperidine (100240-05-9)

Guidance literature:

With triphenylborane; diphenylsilane; diphenylamine; In toluene; at 110 ℃; for 24h; chemoselective reaction; Glovebox; Inert atmosphere;

DOI:10.1002/anie.201702304

upstream raw materials:

1-(tert-butoxycarbonyl)-3-(phenylamino)piperidine

bromobenzene

3-amino-piperidine dihydrochloride

3-aminopiperidine