(2S,3S)-3-(2-Methoxybenzylamino)-2-phenylpiperidine

Base Information

• Chemical Name: (2S,3S)-3-(2-Methoxybenzylamino)-2-phenylpiperidine
• CAS No.: 136982-36-0
• Molecular Formula: C19H24N2O
• Molecular Weight: 296.412
• UNII: 5KM4QA7RZC
• DSSTox Substance ID: DTXSID10929612
• Nikkaji Number: J527.719A
• Wikidata: Q27076905
• Pharos Ligand ID: NS1VQM1QPM2D
• ChEMBL ID: CHEMBL441225
• Mol file: 136982-36-0.mol

Synonyms:3-(2-methoxybenzylamino)-2-phenylpiperidine;CP 100,263;CP 100263;CP 99,994;CP 99994;CP-100,263;CP-100263;CP-99,994;CP-99994

Chemical Property of (2S,3S)-3-(2-Methoxybenzylamino)-2-phenylpiperidine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.592
• Boiling Point: 438.5 °C at 760 mmHg
• Flash Point: 186.2 °C
• PSA: 33.29000
• Density: 1.1 g/cm³
• LogP: 3.99780
• Storage Temp.: Desiccate at RT
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 296.188863393
• Heavy Atom Count: 22
• Complexity: 317

Purity/Quality:

98%min ^*data from raw suppliers

CP99994dihydrochloride ≥99%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1CNC2CCCNC2C3=CC=CC=C3
• Isomeric SMILES: COC1=CC=CC=C1CN[C@H]2CCCN[C@H]2C3=CC=CC=C3

Technology Process of (2S,3S)-3-(2-Methoxybenzylamino)-2-phenylpiperidine

There total 67 articles about (2S,3S)-3-(2-Methoxybenzylamino)-2-phenylpiperidine 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: 96.0%

ortho-anisaldehyde (135-02-4) + (2S,3S)-2-phenyl-3-piperidinamine (136871-75-5,160551-72-4) → (2S,3S)-3-(2-methoxybenzylamino)-2-phenylpiperidine (136982-36-0)

Guidance literature:

ortho-anisaldehyde; (2S,3S)-2-phenyl-3-piperidinamine; In 1,2-dichloro-ethane; at 20 ℃; for 1h;

With sodium cyanoborohydride; acetic acid; In methanol; 1,2-dichloro-ethane; at 20 ℃; for 4h;

DOI:10.1246/cl.150940

Reference yield: 96.0%

tert-butyl (2S,3S)-3-({[2-(methyloxy)phenyl]methyl}amino)-2-phenylpiperidinecarboxylate (187679-57-8) → (2S,3S)-3-(2-methoxybenzylamino)-2-phenylpiperidine (136982-36-0)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃;

DOI:10.1021/ol034505g

Reference yield: 95.0%

3-[tert-butoxycarbonyl-(2-methoxy-benzyl)-amino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester (928338-61-8) → (2S,3S)-3-(2-methoxybenzylamino)-2-phenylpiperidine (136982-36-0)

Guidance literature:

With sodium hydrogencarbonate; trifluoroacetic acid; at 20 ℃; for 2h;

DOI:10.1055/s-2006-956453

upstream raw materials:

tert-butyl (2S,3S)-3-({[2-(methyloxy)phenyl]methyl}amino)-2-phenylpiperidinecarboxylate

3-[tert-butoxycarbonyl-(2-methoxy-benzyl)-amino]-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester

N-[1-(amino-phenyl-methyl)-allyl]-4-methyl-benzenesulfonamide

3-tert-butoxycarbonylamino-2-phenyl-piperidine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

tert-butyl (2S,3S)-3-({[2-(methyloxy)phenyl]methyl}amino)-2-phenylpiperidinecarboxylate

(2S,3S)-3-Amino-1-tert-butoxycarbonyl-2-phenylpiperidine