1-(3,4-Difluorobenzyl)piperazine

Base Information

• Chemical Name: 1-(3,4-Difluorobenzyl)piperazine
• CAS No.: 203860-01-9
• Molecular Formula: C11H16Cl2F2N2
• Molecular Weight: 212.242
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80382311
• Wikidata: Q82173634
• Mol file: 203860-01-9.mol

Synonyms:1-(3,4-Difluorobenzyl)piperazine;203860-01-9;1-[(3,4-difluorophenyl)methyl]piperazine;MFCD07368746;SCHEMBL2921989;DTXSID80382311;GS1958;AKOS009158863;1-(4-Chloro-3-fluorobenzyl)piperazine;BS-32076;SY024845;EN300-936242

Chemical Property of 1-(3,4-Difluorobenzyl)piperazine

Chemical Property:

• PSA: 15.27000
• LogP: 1.63670
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 212.11250478
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

1-(3,4-Difluorobenzyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CC(=C(C=C2)F)F

Technology Process of 1-(3,4-Difluorobenzyl)piperazine

There total 3 articles about 1-(3,4-Difluorobenzyl)piperazine 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:

piperazine (110-85-0) + alpha-bromo-3,4-difluorotoluene (85118-01-0) → 1-[(3,4-difluorophenyl)methyl]piperazine (203860-01-9)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; for 3h; Reflux;

DOI:10.1016/j.ejmech.2015.12.010

Reference yield:

C16H22F2N2O2 (1393441-76-3) → 1-[(3,4-difluorophenyl)methyl]piperazine (203860-01-9)

Guidance literature:

With trifluoroacetic acid; In toluene; at 20 ℃; for 1.2h;

DOI:10.1021/jm900553j

Reference yield:

→ 1-[(3,4-difluorophenyl)methyl]piperazine (203860-01-9)

Guidance literature:

upstream raw materials:

C₁₆H₂₂F₂N₂O₂

piperazine

alpha-bromo-3,4-difluorotoluene