{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanol

Base Information

• Chemical Name: {4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanol
• CAS No.: 622381-65-1
• Molecular Formula: C13H20N2O
• Molecular Weight: 220.315
• DSSTox Substance ID: DTXSID50428134
• Wikidata: Q82240921
• Mol file: 622381-65-1.mol

Synonyms:622381-65-1;{4-[(4-methylpiperazin-1-yl)methyl]phenyl}methanol;[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol;(4-((4-Methylpiperazin-1-yl)methyl)phenyl)methanol;SCHEMBL348581;DTXSID50428134;TQR0098;CHEBI:194853;MFCD07772866;MS-22332;FT-0737519

Chemical Property of {4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanol

Chemical Property:

• Vapor Pressure: 2.01E-05mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 347.6°C at 760 mmHg
• Flash Point: 165.5°C
• PSA: 26.71000
• Density: 1.097g/cm³
• LogP: 0.80210
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 220.157563266
• Heavy Atom Count: 16
• Complexity: 194

Purity/Quality:

98%min ^*data from raw suppliers

{4-[(4-methylpiperazin-1-yl)methyl]phenyl}methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)CO

Technology Process of {4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanol

There total 7 articles about {4-[(4-Methylpiperazin-1-yl)methyl]phenyl}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: 77.0%

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester (314268-40-1) → (4-(4-methyl piperazin-1-ylmethyl)phenyl)-methanol (622381-65-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; Cooling with ice;

DOI:10.1021/acschemneuro.5b00121

Reference yield: 67.0%

4-(4-methyl piperazin-1-ylmethyl)-benzoic acid ethyl ester (1044872-32-3) → (4-(4-methyl piperazin-1-ylmethyl)phenyl)-methanol (622381-65-1)

Guidance literature:

4-(4-methyl piperazin-1-ylmethyl)-benzoic acid ethyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating / reflux;

With sodium hydroxide; water; In tetrahydrofuran; at 0 ℃;

Reference yield:

1-methyl-piperazine (109-01-3) → (4-(4-methyl piperazin-1-ylmethyl)phenyl)-methanol (622381-65-1)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 48 h / 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Reflux; Cooling

With lithium aluminium tetrahydride; In tetrahydrofuran;

upstream raw materials:

4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

1-methyl-piperazine

Methyl 4-(bromomethyl)benzoate

4-(4-methyl piperazin-1-ylmethyl)-benzoic acid ethyl ester

Downstream raw materials:

4-((4-methylpiperazin-1-yl)methyl)benzaldehyde

methyl 5-amino-4-(4-((4-((4-methylpiperazin-1-yl)methyl)benzyl)oxy)-1-oxoisoindolin-2-yl)-5-oxopentanoate