1-(3,5-Difluorophenyl)piperazine

Base Information

• Chemical Name: 1-(3,5-Difluorophenyl)piperazine
• CAS No.: 180698-14-0
• Molecular Formula: C10H12 F2 N2
• Molecular Weight: 198.215
• European Community (EC) Number: 825-167-4
• DSSTox Substance ID: DTXSID10450855
• Nikkaji Number: J2.135.631J
• Wikidata: Q82270685
• Mol file: 180698-14-0.mol

Synonyms:1-(3,5-difluorophenyl)piperazine;180698-14-0;Piperazine, 1-(3,5-difluorophenyl)-;1-(3,5-DIFLUORO-PHENYL)-PIPERAZINE;Piperazine,1-(3,5-difluorophenyl)-;SCHEMBL3045513;DTXSID10450855;TWSOQIHDPMMWAJ-UHFFFAOYSA-N;AKOS010081511;AT25486;SB34445;EN300-59253

Chemical Property of 1-(3,5-Difluorophenyl)piperazine

Chemical Property:

• PSA: 15.27000
• LogP: 1.76820
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 198.09685472
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

1-(3,5-Difluorophenyl)piperazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3,5-Difluorophenyl)piperazine

There total 5 articles about 1-(3,5-Difluorophenyl)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: 89.0%

→ 1-(3,5-difluorophenyl)piperazine (180698-14-0)

Guidance literature:

Reference yield: 80.0%

tert-butyl 4-(3,5-difluorophenyl)piperazine-1-carboxylate (909418-94-6) → 1-(3,5-difluorophenyl)piperazine (180698-14-0)

Guidance literature:

tert-butyl 4-(3,5-difluorophenyl)piperazine-1-carboxylate; With Amberlyst(R) 15; In dichloromethane; at 20 ℃;

With ammonium hydroxide; In methanol; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2006.02.047

Reference yield: 30.0%

3,5-difluoroaniline (372-39-4) + bis-(2-chloroethyl)amine hydrochloride (821-48-7) → 1-(3,5-difluorophenyl)piperazine (180698-14-0)

Guidance literature:

3,5-difluoroaniline; bis-(2-chloroethyl)amine hydrochloride; In butan-1-ol; for 48h; Reflux;

With potassium carbonate; In butan-1-ol; for 24h; Reflux;

upstream raw materials:

3,5-difluoroaniline

bis-(2-chloroethyl)amine hydrochloride

tert-butyl 4-(3,5-difluorophenyl)piperazine-1-carboxylate

3,5-difluorobromobenzene

Downstream raw materials:

1-[1-(3-Chloro-pyridin-2-yl)-5-methyl-4-pyrazolyl]-3-[4-(3,5-difluorophenyl)-1-piperazinyl]-1-propanone

1-[1-(3-Chloro-pyridin-4-yl)-5-methyl-4-pyrazolyl]-3-[4-(3,5-difluorophenyl)-1-piperazinyl]-1-propanone

1-[1-(5-chloro-pyridin-2-yl)-5-methyl-1H-pyrazol-4-yl]-3-[4-(3,5-difluoro-phenyl)-piperazin-1-yl]-propan-1-one

1-[1-(3,5-dichloro-pyridin-4-yl)-5-methyl-1H-pyrazol-4-yl]-3-[4-(3,5-difluoro-phenyl)-piperazin-1-yl]-propan-1-one