1-(Chloroacetyl)-4-(4-fluorophenyl)piperazine

Base Information

• Chemical Name: 1-(Chloroacetyl)-4-(4-fluorophenyl)piperazine
• CAS No.: 330601-48-4
• Molecular Formula: C12H14ClFN2O
• Molecular Weight: 256.707
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90365377
• Wikidata: Q82150001
• Mol file: 330601-48-4.mol

Synonyms:330601-48-4;1-(CHLOROACETYL)-4-(4-FLUOROPHENYL)PIPERAZINE;2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;2-Chloro-1-(4-(4-fluorophenyl)piperazin-1-yl)ethan-1-one;2-Chloro-1-[4-(4-fluoro-phenyl)-piperazin-1-yl]-ethanone;2-CHLORO-1-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]ETHAN-1-ONE;SCHEMBL2878977;DTXSID90365377;KOSFWARHNRKNOW-UHFFFAOYSA-N;MFCD03376358;STK161391;AKOS000103104;AB14006;LS-04110;CS-0314902;A1-10218

Chemical Property of 1-(Chloroacetyl)-4-(4-fluorophenyl)piperazine

Chemical Property:

• Boiling Point: 420.1±45.0 °C(Predicted)
• PKA: 2.79±0.10(Predicted)
• PSA: 23.55000
• Density: 1.286±0.06 g/cm3(Predicted)
• LogP: 1.71600
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 256.0778689
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

98%min ^*data from raw suppliers

1-(Chloroacetyl)-4-(4-fluorophenyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCl

Technology Process of 1-(Chloroacetyl)-4-(4-fluorophenyl)piperazine

There total 1 articles about 1-(Chloroacetyl)-4-(4-fluorophenyl)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: 70.0%

chloroacetyl chloride (79-04-9) + 1-(4-Fluorophenyl)piperazine (2252-63-3) → 2-chloro-1-(4-(4-fluorophenyl)piperazin-1-yl)ethanone (330601-48-4)

Guidance literature:

With potassium carbonate; In benzene; at 0 - 10 ℃; for 4h;

Reference yield: 95.0%

2-chloro-1-(4-(4-fluorophenyl)piperazin-1-yl)ethanone (330601-48-4) → 1-(2-chloroethyl)-4-(4-fluorophenyl)-piperazine (65274-89-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at 40 ℃; for 0.5h;

DOI:10.1021/jm800928j

Reference yield: 91.0%

Betulinic acid (472-15-1) + 2-chloro-1-(4-(4-fluorophenyl)piperazin-1-yl)ethanone (330601-48-4) → 2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl-3β-hydroxylup-20(29)-en-28-oate

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1080/14786419.2018.1462182

upstream raw materials:

chloroacetyl chloride

1-(4-Fluorophenyl)piperazine