1-Phenylpiperazin-2-one hydrochloride

Base Information

• Chemical Name: 1-Phenylpiperazin-2-one hydrochloride
• CAS No.: 94783-18-3
• Molecular Formula: C₁₀H₁₂N₂O*ClH
• Molecular Weight: 212.679
• Hs Code.: 2933599090
• European Community (EC) Number: 818-300-2
• DSSTox Substance ID: DTXSID90591311
• Mol file: 94783-18-3.mol

Synonyms:1-phenylpiperazin-2-one hydrochloride;94783-18-3;1-PHENYL-PIPERAZIN-2-ONE HYDROCHLORIDE;1-PHENYLPIPERAZIN-2-ONE HCL;1-phenylpiperazin-2-one;hydrochloride;MFCD09027321;SCHEMBL2854834;DTXSID90591311;AB1573;AKOS015900413;SB40178;AS-44605;CS-0233968;EN300-137434;1-Phenylpiperazin-2-one--hydrogen chloride (1/1);Z1695799510

Chemical Property of 1-Phenylpiperazin-2-one hydrochloride

Chemical Property:

• Melting Point: 100-105℃
• PSA: 32.34000
• LogP: 1.81860
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.0716407
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

1-phenylpiperazin-2-onehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)CN1)C2=CC=CC=C2.Cl

Technology Process of 1-Phenylpiperazin-2-one hydrochloride

There total 2 articles about 1-Phenylpiperazin-2-one 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:

2-[(2-hydroxyethyl)amino]-N-phenylacetamide (84726-81-8) → 1-phenyl-2-piperazinone hydrochloride (94783-18-3)

Guidance literature:

With hydrogenchloride; tributylphosphine; 1,1'-azodicarbonyl-dipiperidine; In ethyl acetate; at 0 - 5 ℃;

DOI:10.1016/S0040-4039(98)01670-0

Reference yield:

N-chloroacetyl-aniline (587-65-5) → 1-phenyl-2-piperazinone hydrochloride (94783-18-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 °C

2: 83 percent Spectr_. / 1.) tributylphosphine, 1,1'-(azocarbonyl)dipiperidine; 2.) ethanolic HCl / ethyl acetate / 0 - 5 °C

With hydrogenchloride; tributylphosphine; 1,1'-azodicarbonyl-dipiperidine; In ethyl acetate;

DOI:10.1016/S0040-4039(98)01670-0

Reference yield: 22.8%

2-(2-(2-chloroethoxy)phenyl)-N-methylthiazolidine-3-thiocarboxamide (103076-35-3) + 1-phenyl-2-piperazinone hydrochloride (94783-18-3) → N-methyl-2-(2-(2-(3-oxo-4-phenylpiperazino)ethoxy)phenyl)thiazolidine-3-carbothioamide (111153-99-2)

Guidance literature:

With potassium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1248/cpb.35.2825

upstream raw materials:

2-[(2-hydroxyethyl)amino]-N-phenylacetamide

N-chloroacetyl-aniline

Downstream raw materials:

N-methyl-2-(2-(2-(3-oxo-4-phenylpiperazino)ethoxy)phenyl)thiazolidine-3-carbothioamide

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