3-{[(Benzyloxy)(hydroxy)methylidene]amino}piperidin-1-ium

Base Information

• Chemical Name: 3-{[(Benzyloxy)(hydroxy)methylidene]amino}piperidin-1-ium
• CAS No.: 31648-54-1
• Molecular Formula: C13H18N2O2
• Molecular Weight: 270.76
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID20953620
• Wikidata: Q72515995
• Mol file: 31648-54-1.mol

Synonyms:DTXSID20953620;AKOS015897987;3-{[(Benzyloxy)(hydroxy)methylidene]amino}piperidin-1-ium

Chemical Property of 3-{[(Benzyloxy)(hydroxy)methylidene]amino}piperidin-1-ium

Chemical Property:

• Vapor Pressure: 1.73E-06mmHg at 25°C
• Boiling Point: 396.3 °C at 760 mmHg
• Flash Point: 193.475 °C
• PSA: 50.36000
• Density: 1.139 g/cm³
• LogP: 3.18650
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 235.144652853
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

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

3-N-Cbz-Amino-piperidine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C[NH2+]C1)NC(=O)OCC2=CC=CC=C2
• Isomeric SMILES: C1C[C@@H](C[NH2+]C1)NC(=O)OCC2=CC=CC=C2

Technology Process of 3-{[(Benzyloxy)(hydroxy)methylidene]amino}piperidin-1-ium

There total 4 articles about 3-{[(Benzyloxy)(hydroxy)methylidene]amino}piperidin-1-ium 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:

3(R)-Benzyloxycarbonylamino-piperidine-1-carboxylic acid tert-butyl ester (183207-70-7,1002360-09-9) → (RS)-benzyl piperidin-3-ylcarbamate (31648-54-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h; Time;

DOI:10.1016/j.ejmech.2017.03.013

Reference yield:

tert‐butyl 3‐aminopiperidine‐1‐carboxylate (144243-24-3) → (RS)-benzyl piperidin-3-ylcarbamate (31648-54-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C

2: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/j.ejmech.2017.03.013

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) → (RS)-benzyl piperidin-3-ylcarbamate (31648-54-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C

2: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/j.ejmech.2017.03.013

upstream raw materials:

3(R)-Benzyloxycarbonylamino-piperidine-1-carboxylic acid tert-butyl ester

tert‐butyl 3‐aminopiperidine‐1‐carboxylate

benzyl chloroformate

Refernces

• 1、 -. "Di-and tri-substituted piperidines, pyrrolidines and hexahydro-1H-azepines promote release of growth hormone". . . Retrieved 2008/06/13.