4-Fluoro-3-(piperazin-1-ylmethyl)phenol

Base Information

• Chemical Name: 4-Fluoro-3-(piperazin-1-ylmethyl)phenol
• CAS No.: 150019-64-0
• Molecular Formula: C₁₂H₁₇FN₂O
• Molecular Weight: 224.278
• DSSTox Substance ID: DTXSID001245378
• Mol file: 150019-64-0.mol

Synonyms:4-fluoro-3-(piperazin-1-ylmethyl)phenol;150019-64-0;SCHEMBL2734475;DTXSID001245378;GS1944;1-[(2-fluoro-5-methoxyphenyl)methyl]piperazine;A1-58861

Chemical Property of 4-Fluoro-3-(piperazin-1-ylmethyl)phenol

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 224.13249133
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)F)CN2CCNCC2

Technology Process of 4-Fluoro-3-(piperazin-1-ylmethyl)phenol

There total 2 articles about 4-Fluoro-3-(piperazin-1-ylmethyl)phenol 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: 50.0%

piperazine (110-85-0) + sodium cyanoborohydride (25895-60-7) + 2-fluoro-5-methoxybenzaldehyde (105728-90-3) → 4-(2-fluoro-5-methoxybenzyl)piperazine (150019-64-0)

Guidance literature:

In hydrogenchloride; ethanol; dichloromethane; water;

Reference yield: 50.0%

piperazine (110-85-0) + 2-fluoro-5-methoxybenzaldehyde (105728-90-3) → 4-(2-fluoro-5-methoxybenzyl)piperazine (150019-64-0)

Guidance literature:

With sodium cyanoborohydride; In ethanol; for 18h; Heating;

DOI:10.1016/S0960-894X(03)00090-8

Reference yield: 16.4%

titanium(IV) isopropylate (546-68-9) + 4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexanone (150019-57-1) + 4-(2-fluoro-5-methoxybenzyl)piperazine (150019-64-0) → Z-1-(1,3-benzodioxol-5-yl)-4-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-piperazinyl]cyclohexanol

Guidance literature:

With sodium borohydrid;

upstream raw materials:

piperazine

2-fluoro-5-methoxybenzaldehyde

sodium cyanoborohydride