1-(4-Methoxyphenyl)piperazinium chloride

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)piperazinium chloride
• CAS No.: 84145-43-7
• Molecular Formula: C11H16N2O^.HCl
• Molecular Weight: 228.722
• Hs Code.: 2933599090
• European Community (EC) Number: 282-270-1
• Mol file: 84145-43-7.mol

Synonyms:1-(4-Methoxyphenyl)piperazinium chloride;1-(4-methoxyphenyl)piperazin-1-ium;chloride;1-(4-Methoxyphenyl)piperazine hydrochloride (1:1)

Chemical Property of 1-(4-Methoxyphenyl)piperazinium chloride

Chemical Property:

• Melting Point: 42-47 °C(lit.)
• Boiling Point: 344 °C at 760 mmHg
• Flash Point: 161.8 °C
• PSA: 24.50000
• LogP: 2.30060
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol, Water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.1029409
• Heavy Atom Count: 15
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Methoxyphenyl)piperazineHCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)[NH+]2CCNCC2.[Cl-]

Technology Process of 1-(4-Methoxyphenyl)piperazinium chloride

There total 3 articles about 1-(4-Methoxyphenyl)piperazinium chloride 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: 99.7%

N-(4-tert-butoxycarbonyl)-N'-(4-methoxyphenyl)piperazine → 1-(para-methoxyphenyl)piperazine hydrochloride (84145-43-7,70849-64-8)

Guidance literature:

With hydrogenchloride; In diethyl ether;

Reference yield: 80.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 4-methoxy-aniline (104-94-9) → 1-(para-methoxyphenyl)piperazine hydrochloride (84145-43-7,70849-64-8)

Guidance literature:

With 2-(2-methoxyethoxy)ethyl alcohol; at 150 ℃; for 12h;

DOI:10.1016/j.bmc.2016.09.005

Reference yield:

para-iodoanisole (696-62-8) → 1-(para-methoxyphenyl)piperazine hydrochloride (84145-43-7,70849-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; potassium dihydrogenphosphate / N,N-dimethyl-formamide / 24 h / 100 °C / Inert atmosphere

2: hydrogenchloride / ethyl acetate / 24 h / 20 °C

With hydrogenchloride; potassium dihydrogenphosphate; copper(l) iodide; In ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

bis-(2-chloroethyl)amine hydrochloride

4-methoxy-aniline

para-iodoanisole

Downstream raw materials:

N-(2-carbomethoxythien-3-yl)-N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea

N-(3-carboethoxythien-2-yl)-N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea

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

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

Refernces

• 1、 -. "ANTI-PAIN COMPOUND AND PREPARATION METHOD THEREFOR". Paragraph 0079; 0081. . Retrieved 2020/11/23.
• 2、 Paudel, Suresh,Sun, Ningning,Khadka, Daulat Bikram,Yoon, Goon,Kim, Kyeong-Man,Cheon, Seung Hoon. "Design, synthesis and docking study of 4-arylpiperazine carboxamides as monoamine neurotransmitters reuptake inhibitors". . p. 4127 - 4135. Retrieved 2018/07/21.