1-Phenylpiperazine hydrochloride

Base Information

• Chemical Name: 1-Phenylpiperazine hydrochloride
• CAS No.: 4004-95-9
• Molecular Formula: C₁₀H₁₄N₂*ClH
• Molecular Weight: 198.695
• European Community (EC) Number: 218-646-9
• NSC Number: 150847,38914
• UNII: J8L23UX32D
• DSSTox Substance ID: DTXSID40176612
• Mol file: 4004-95-9.mol

Synonyms:1-phenylpiperazine;N-phenylpiperazine;phenylpiperazine;phenylpiperazine dihydrobromide;phenylpiperazine dihydrochloride;phenylpiperazine hydrochloride;phenylpiperazine monohydrochloride

Chemical Property of 1-Phenylpiperazine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00252mmHg at 25°C
• Boiling Point: 287.2°C at 760 mmHg
• Flash Point: 138.3°C
• PSA: 15.27000
• LogP: 2.29200
• Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.0923762
• Heavy Atom Count: 13
• Complexity: 124

Purity/Quality:

98%min ^*data from raw suppliers

1-PHENYLPIPERAZINE DIHYDROCHLORIDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2.Cl
• Uses: 1-Phenylpiperazine was tested for its activity as a topical glaucoma agent.

Technology Process of 1-Phenylpiperazine hydrochloride

There total 10 articles about 1-Phenylpiperazine 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: 97.0%

4-phenyl-piperazine-1-carboxylic acid tert-butyl ester (77278-63-8) → 1-phenylpiperazine hydrochloride (4004-95-9,70849-66-0,2210-93-7)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 2h; Inert atmosphere;

Reference yield: 89.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + aniline (62-53-3) → 1-phenylpiperazine hydrochloride (4004-95-9,70849-66-0,2210-93-7)

Guidance literature:

at 150 ℃; for 12h;

DOI:10.1016/j.bmc.2016.03.044

Reference yield: 71.0%

bis-(2-chloroethyl)amine hydrochloride + aniline (62-53-3) → 1-phenylpiperazine hydrochloride (4004-95-9,70849-66-0,2210-93-7)

Guidance literature:

With potassium carbonate; In butan-1-ol; for 40h; Reflux;

upstream raw materials:

diethanolamine hydrochloride

2-chloroaniline hydrochloride

4-phenyl-piperazine-1-carboxylic acid tert-butyl ester

bis-(2-chloroethyl)amine hydrochloride

Downstream raw materials:

4-phenyl-piperazine-1-carboxylic acid ethyl ester

N-phenyl-N′-ethylpiperazine

1-phenyl-4-<β-4-quinolyl>ethyl piperazine

2-Methyl-4-(2-nitro-phenyl)-6-[2-(4-phenyl-piperazin-1-yl)-ethyl]-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

Refernces

• 1、 Wang, Chao,Li, Yuelin,Liu, Tong,Wang, Zeyu,Zhang, Yujing,Bao, Kai,Wu, Yingliang,Guan, Qi,Zuo, Daiying,Zhang, Weige. "Design, synthesis and evaluation of antiproliferative and antitubulin activities of 5-methyl-4-aryl-3-(4-arylpiperazine-1-carbonyl)-4H-1,2,4-triazoles". . . Retrieved 2020/10/12.
• 2、 Paudel, Suresh,Min, Xiao,Acharya, Srijan,Khadka, Daulat Bikram,Yoon, Goon,Kim, Kyeong-Man,Cheon, Seung Hoon. "Design, synthesis, and systematic evaluation of 4-arylpiperazine- and 4-benzylpiperidine napthyl ethers as inhibitors of monoamine neurotransmitters reuptake". . p. 5538 - 5546. Retrieved 2018/10/09.