(4-Benzylpiperazin-2-yl)methanol

Base Information

• Chemical Name: (4-Benzylpiperazin-2-yl)methanol
• CAS No.: 85817-34-1
• Molecular Formula: C12H18 N2 O
• Molecular Weight: 206.288
• Hs Code.: 2933599090
• European Community (EC) Number: 672-454-3
• DSSTox Substance ID: DTXSID60373469
• Mol file: 85817-34-1.mol

Synonyms:(4-benzylpiperazin-2-yl)methanol;85817-34-1;4-n-benzyl-2-hydroxymethylpiperazine;1-benzyl-3-(hydroxymethyl)piperazine;(4-Benzyl-piperazin-2-yl)-methanol;2-Piperazinemethanol, 4-(phenylmethyl)-;(4-benzylpiperazin-2-yl)-methanol;MFCD03001699;4-benzyl-2-(hydroxymethyl)piperazine;4-(phenylmethyl)-2-piperazinemethanol;SCHEMBL692066;DTXSID60373469;PJMFGDYBTJEEDP-UHFFFAOYSA-N;(4-benzyl-piperazin-2-yl)methanol;AMY16008;4-n-benzyl-2-hydroxymethyl piperazine;AKOS005256436;AB12862;FS-1275;PB22482;PB25383;CS-0022407;FT-0646612;FT-0687487;FT-0687488;(4-benzyl-piperazin-2-yl)-methanol, AldrichCPR;Q-102270;Q-102962

Chemical Property of (4-Benzylpiperazin-2-yl)methanol

Chemical Property:

• Vapor Pressure: 0.000154mmHg at 25°C
• Boiling Point: 318.1°C at 760 mmHg
• PKA: 14.97±0.10(Predicted)
• Flash Point: 146.2°C
• PSA: 35.50000
• Density: 1.083g/cm³
• LogP: 0.71940
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 206.141913202
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-3-(hydroxymethyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC(N1)CO)CC2=CC=CC=C2

Technology Process of (4-Benzylpiperazin-2-yl)methanol

There total 5 articles about (4-Benzylpiperazin-2-yl)methanol 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: 78.0%

4-benzylpiperazine-2-carboxylic acid methyl ester (181955-94-2) + LiAl H4 + potassium carbonate (584-08-7) + sodium sulfate (7757-82-6) → 4-(phenylmethyl)-2-piperazinemethanol (85817-34-1)

Guidance literature:

With sodium cyanoborohydride; benzaldehyde; acetic acid; In tetrahydrofuran; methanol;

Reference yield: 67.0%

ethyl 3-oxo-4-(phenylmethyl)-2-piperazinecarboxylate (149648-71-5) → 4-(phenylmethyl)-2-piperazinemethanol (85817-34-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 1.5h; Ambient temperature;

DOI:10.1021/jm00067a004

Reference yield:

ethyl 3-oxo-1,4-bis(phenylmethyl)-2-piperazinecarboxylate (149648-70-4) → 4-(phenylmethyl)-2-piperazinemethanol (85817-34-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / H₂ / 5percent Pd/C / ethanol / 24 h / Ambient temperature

2: 67 percent / LiAlH₄ / tetrahydrofuran / 1.5 h / Ambient temperature

With lithium aluminium tetrahydride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol;

DOI:10.1021/jm00067a004

upstream raw materials:

ethyl 3-oxo-4-(phenylmethyl)-2-piperazinecarboxylate

ethyl 3-oxo-1,4-bis(phenylmethyl)-2-piperazinecarboxylate

N,N'-Dibenzylethylenediamine

4-benzylpiperazine-2-carboxylic acid methyl ester

Downstream raw materials:

2-piperazinemethanol dihydrochloride

2-[4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-6-nitroquinoline

tert-butyl 4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate

1-<(3,4-dichlorophenyl)acetyl>-4-(phenylmethyl)-2-piperazinecarboxaldehyde