1-(3-Chlorophenyl)piperazine hydrochloride

Base Information

• Chemical Name: 1-(3-Chlorophenyl)piperazine hydrochloride
• CAS No.: 13078-15-4
• Molecular Formula: C10H13ClN2^.HCl
• Molecular Weight: 233.141
• Hs Code.: 2933599090
• European Community (EC) Number: 235-976-9,265-718-0
• NSC Number: 134746
• UNII: 7IM2GS7ILV
• DSSTox Substance ID: DTXSID40896823
• Wikidata: Q27268361
• ChEMBL ID: CHEMBL1256321
• Mol file: 13078-15-4.mol

Synonyms:1-(3-chlorophenyl)piperazine;1-(3-chlorophenyl)piperazine dihydrochloride;1-(3-chlorophenyl)piperazine monohydrochloride;1-(m-chlorophenyl)piperazine;1-3-CPP;3-chlorophenylpiperazine;dihydrochloro phenyl piperazine;m-chlorophenylpiperazine;m-CPP;meta-chlorophenylpiperazine

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Chemical Property of 1-(3-Chlorophenyl)piperazine hydrochloride

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.000112mmHg at 25°C
• Melting Point: 212-214 °C
• Boiling Point: 336.4 °C at 760 mmHg
• Flash Point: 157.2 °C
• PSA: 15.27000
• LogP: 2.94540
• Storage Temp.: Refrigerator
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 232.0534038
• Heavy Atom Count: 14
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s): R25:Toxic if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R25:Toxic if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: R25:Toxic if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• 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.Cl
• Uses: The major metabolite of Trazodone (T718500), Nefazodone (N389100), and Etoperidone (E933680). 5-HT2C/2B receptor agonist/partial agonist

Technology Process of 1-(3-Chlorophenyl)piperazine hydrochloride

There total 5 articles about 1-(3-Chlorophenyl)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: 91.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 3-chloro-aniline (108-42-9) → 1-(3-chlorophenyl)piperazine hydrochloride (13078-15-4,51639-49-7,65369-76-8)

Guidance literature:

In sulfolane; at 150 ℃; for 14h;

DOI:10.1016/j.tetlet.2015.06.003

Reference yield: 78.0%

tert-butyl 4-(3-chlorophenyl)piperazine-1-carboxylate (186790-11-4) → 1-(3-chlorophenyl)piperazine hydrochloride (13078-15-4,51639-49-7,65369-76-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/acsmedchemlett.0c00422

Reference yield:

diethanolamine hydrochloride (14426-21-2) + 3-chloroaniline hydrochloride (141-85-5) → 1-(3-chlorophenyl)piperazine hydrochloride (13078-15-4,51639-49-7,65369-76-8) + N-(3-chlorophenyl)ethylenediamine hydrochloride (143745-53-3) + 4-ethyl-3-chloro-phenyl-1-piperazine hydrochloride

Guidance literature:

at 170 ℃;

upstream raw materials:

diethanolamine hydrochloride

3-chloroaniline hydrochloride

bis-(2-chloroethyl)amine hydrochloride

3-chloro-aniline

Downstream raw materials:

6-<2-<4-(3-chlorophenyl)-1-piperazinyl>ethyl>-5,6,7,8-tetrahydro-1,6-naphthyridine difumarate

6-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-5,6,7,8-tetrahydro-[1,6]naphthyridine; compound with (E)-but-2-enedioic acid

2-<2-<4-(3-chlorophenyl)-1-piperazinyl>ethyl>-1,2,3,4,6,7,8,9-octahydrobenzo<1,6>naphthyridine difumarate

1-(2-chloroethyl)-4-(3-chlorophenyl)piperazine

Refernces

• 1、 Zhang, Gang,Wang, Feng,Li, Shan,Cheng, Kai-Wen,Zhu, Yingying,Huo, Ran,Abdukirim, Elyar,Kang, Guifeng,Chou, Tsui-Fen. "Discovery of small-molecule inhibitors of RUVBL1/2 ATPase". . . Retrieved 2022/04/03.
• 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.