1-Benzylpiperidine-3,3-diol hydrobromide

Base Information

• Chemical Name: 1-Benzylpiperidine-3,3-diol hydrobromide
• CAS No.: 61995-16-2
• Molecular Formula: C12H17NO2.BrH
• Molecular Weight: 288.184
• DSSTox Substance ID: DTXSID20487556
• Mol file: 61995-16-2.mol

Synonyms:1-Benzylpiperidine-3,3-diol hydrobromide;61995-16-2;1-Benzylpiperidine-3,3-diolhydrobromide;1-Benzyl-3,3-dihydroxypiperidine hydrobromide;SCHEMBL4081272;DTXSID20487556;HXOIITJZXKWPKT-UHFFFAOYSA-N;1-Benzylpiperidine-3,3-diol--hydrogen bromide (1/1)

Chemical Property of 1-Benzylpiperidine-3,3-diol hydrobromide

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 287.05209
• Heavy Atom Count: 16
• Complexity: 200

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CN(C1)CC2=CC=CC=C2)(O)O.Br

Technology Process of 1-Benzylpiperidine-3,3-diol hydrobromide

There total 1 articles about 1-Benzylpiperidine-3,3-diol hydrobromide 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: 43.0%

3-benzyloxy-N-benzyl-1,2,5,6-tetrahydropyridine (61995-15-1) → 1-Benzyl-3,3-dihydroxypiperidine hydrobromide (61995-16-2)

Guidance literature:

With water; hydrogen bromide; for 3h; Heating / reflux;

Reference yield: 100.0%

1-Benzyl-3,3-dihydroxypiperidine hydrobromide (61995-16-2) → 1-benzyl-3-piperidone (40114-49-6)

Guidance literature:

With triethylamine; In dichloromethane; for 3h;

Reference yield:

1-Benzyl-3,3-dihydroxypiperidine hydrobromide (61995-16-2) → 3-oxo-piperidine-1-carboxylic acid tert-butyl ester (98977-36-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / ethanol; H₂O / 2205.2 Torr

2: triethylamine / tetrahydrofuran / 2 h / 0 °C

With hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; ethanol; water;

DOI:10.1021/jm00152a010

upstream raw materials:

3-benzyloxy-N-benzyl-1,2,5,6-tetrahydropyridine

Downstream raw materials:

1-benzyl-3-piperidone

5,6,7,8-tetrahydro-4H-isoxazolo<4,3-c>azepin-3-ol zwitterion

5,6,7,8-tetrahydro-4H-isoxazolo<3,4-c>azepin-3-ol zwitterion

3-oxo-piperidine-1-carboxylic acid tert-butyl ester