Methyl-phenethyl-piperidin-4-YL-amine

Base Information

• Chemical Name: Methyl-phenethyl-piperidin-4-YL-amine
• CAS No.: 142752-20-3
• Molecular Formula: C14H22N2
• Molecular Weight: 218.342
• DSSTox Substance ID: DTXSID50446090
• Wikidata: Q82264662
• Mol file: 142752-20-3.mol

Synonyms:METHYL-PHENETHYL-PIPERIDIN-4-YL-AMINE;142752-20-3;N-METHYL-N-(2-PHENYLETHYL)PIPERIDIN-4-AMINE;SCHEMBL3581153;DTXSID50446090;VMBVZOWXRDYODM-UHFFFAOYSA-N;methyl-phenethyl-piperidin -4-yl-amine;N-Methyl-N-(2-phenylethyl)-4-piperidinamine;4-[N-methyl-N-(2-phenylethyl)amino]piperidine;4-[N-methyl-N-(2-phenylethyl)-amino]piperidine

Chemical Property of Methyl-phenethyl-piperidin-4-YL-amine

Chemical Property:

• PSA: 15.27000
• LogP: 2.24170
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 218.178298710
• Heavy Atom Count: 16
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

METHYL-PHENETHYL-PIPERIDIN-4-YL-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCC1=CC=CC=C1)C2CCNCC2

Technology Process of Methyl-phenethyl-piperidin-4-YL-amine

There total 4 articles about Methyl-phenethyl-piperidin-4-YL-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: 66.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-benzyl-N-phenethylpiperidin-4-amine (167626-23-5) → 4-[N-methyl-N-(2-phenylethyl)amino]piperidine (142752-20-3)

Guidance literature:

formaldehyd; 1-benzyl-N-phenethylpiperidin-4-amine; With formic acid; water; at 50 ℃; for 1h;

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; at 40 ℃; for 3h; under 760 Torr;

DOI:10.1021/jm020597o

Reference yield:

(1-benzyl-piperidin-4-yl)-methyl-phenethyl-amine (142752-18-9) → 4-[N-methyl-N-(2-phenylethyl)amino]piperidine (142752-20-3)

Guidance literature:

With hydrogenchloride; sodium hydroxide; palladium-carbon; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethanol; water;

Reference yield:

1-phenylmethyl-4-piperidone (3612-20-2) → 4-[N-methyl-N-(2-phenylethyl)amino]piperidine (142752-20-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: AcOH; H₂ / Pt/C / ethanol / 2 h / 40 °C / 760 Torr

2.1: formic acid; H₂O / 1 h / 50 °C

2.2: 66 percent / H₂; HCl / Pd/C / ethanol / 3 h / 40 °C / 760 Torr

With formic acid; water; hydrogen; acetic acid; platinum on activated charcoal; In ethanol;

DOI:10.1021/jm020597o

upstream raw materials:

formaldehyd

1-benzyl-N-phenethylpiperidin-4-amine

1-phenylmethyl-4-piperidone

phenethylamine

Downstream raw materials:

4-(N-methyl-2-phenylethyl)amino-1-(4-nitrobenzoyl)piperidine

1-(3,5-dimethyl-4-propionylamino)benzoyl-4-(N-methyl-2-phenylethyl)aminopiperidine