1-[(3-Fluorophenyl)acetyl]piperazine hydrochloride

Base Information

• Chemical Name: 1-[(3-Fluorophenyl)acetyl]piperazine hydrochloride
• CAS No.: 926226-12-2
• Molecular Formula: C₁₂H₁₅FN₂O
• Molecular Weight: 222.262
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90698031
• Mol file: 926226-12-2.mol

Synonyms:1-[(3-FLUOROPHENYL)ACETYL]PIPERAZINE HYDROCHLORIDE;2-(3-fluorophenyl)-1-piperazin-1-ylethanone;hydrochloride;1240613-65-3;DTXSID90698031;AKOS025560854;1-((3-fluorophenyl)acetyl)piperazine hcl;EN300-6732588;A844291;2-(3-fluorophenyl)-1-(1-piperazinyl)ethanone hydrochloride;2-(3-fluorophenyl)-1-piperazin-1-yl-ethanone hydrochloride;2-(3-fluorophenyl)-1-(piperazin-1-yl)ethan-1-one hydrochloride;2-(3-Fluorophenyl)-1-(piperazin-1-yl)ethan-1-one--hydrogen chloride (1/1)

Chemical Property of 1-[(3-Fluorophenyl)acetyl]piperazine hydrochloride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 382.333 °C at 760 mmHg
• Flash Point: 185.029 °C
• PSA: 32.34000
• Density: 1.172 g/cm³
• LogP: 1.86870
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 258.0935190
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

2-(3-fluorophenyl)-1-(piperazin-1-yl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[(3-Fluorophenyl)acetyl]piperazine hydrochloride

There total 2 articles about 1-[(3-Fluorophenyl)acetyl]piperazine hydrochloride 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) + 3-fluorophenylacetyl chloride (458-04-8) → C12H15FN2O (926226-12-2)

Guidance literature:

With acetic acid; In chloroform; at 20 ℃; for 3h;

DOI:10.3390/molecules21111544

Reference yield:

(3-fluorophenyl)acetic acid (331-25-9) → C12H15FN2O (926226-12-2)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 4 h / Reflux

2: acetic acid / chloroform / 3 h / 20 °C

With thionyl chloride; acetic acid; In chloroform;

DOI:10.3390/molecules21111544

upstream raw materials:

piperazine

3-fluorophenylacetyl chloride

(3-fluorophenyl)acetic acid