1-(3-Methoxyphenyl)piperazine hydrochloride

Base Information

• Chemical Name: 1-(3-Methoxyphenyl)piperazine hydrochloride
• CAS No.: 6968-76-9
• Molecular Formula: C₁₁H₁₆N₂O*(x)ClH
• Molecular Weight: 265.18
• Hs Code.: 2933599090
• European Community (EC) Number: 861-977-4
• UNII: UI3G4CVQ3Z
• NSC Number: 66266
• Wikidata: Q27291086
• Mol file: 6968-76-9.mol

Synonyms:1-(3-methoxyphenyl)piperazine hydrochloride;16015-70-6;3-Meopp HCl;N-(3-Methoxyphenyl)piperazine hydrochloride;UI3G4CVQ3Z;1-(3-methoxyphenyl)piperazine;hydrochloride;Piperazine, 1-(3-methoxyphenyl)-, monohydrochloride;Piperazine, 1-(m-methoxyphenyl)-, monohydrochloride;Piperazine, 1-(3-methoxyphenyl)-, hydrochloride (1:1);1-(3-Methoxyphenyl)piperazine HCl;NSC-66266;1-(3-methoxylphenyl)piperazine HCl;UNII-UI3G4CVQ3Z;SCHEMBL1706127;QOQLPYRYJCBRNU-UHFFFAOYSA-N;CS-B1530;NSC66266;AKOS025149812;AS-75574;C13174;SR-01000641477-1;Q27291086

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

Chemical Property:

• Appearance/Colour: White to gray or light purple powder.
• Vapor Pressure: 6.8E-05mmHg at 25°C
• Melting Point: 201-204 °C
• Boiling Point: 344oC at 760 mmHg
• Flash Point: 161.8oC
• PSA: 24.50000
• LogP: 3.10260
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.1029409
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Methoxyphenyl)piperazine dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 28A-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)N2CCNCC2.Cl
• Uses: 1-(3-Methoxyphenyl)piperazine dihydrochloride is a useful research chemical. 1-(3-Methoxyphenyl)piperazine dihydrochloride is used as an arylpiperazine compound which is an important intermediate in the preparation of various pharmaceuticals, used to treat depression and post-traumatic stress.

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

There total 5 articles about 1-(3-Methoxyphenyl)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: 72.0%

piperazine (110-85-0) + 1-fluoro-3-methoxybenzene (456-49-5) → 1-(3-methoxyphenyl)piperazine hydrochloride (6968-76-9)

Guidance literature:

piperazine; 1-fluoro-3-methoxybenzene; With lithium hexamethyldisilazane; In tetrahydrofuran; at 80 ℃; for 3h;

With hydrogenchloride; In water; acetonitrile;

Reference yield: 72.0%

piperazine (110-85-0) + 1-fluoro-3-methoxybenzene (456-49-5) → 4-(3-methoxyphenyl) piperazine hydrochloride (16015-70-6,6968-76-9)

Guidance literature:

piperazine; With lithium hexamethyldisilazane; In tetrahydrofuran; at 80 ℃; for 0.166667h; Sealed tube;

1-fluoro-3-methoxybenzene; In tetrahydrofuran; at 80 ℃; for 3h; Sealed tube;

With hydrogenchloride; In tetrahydrofuran; water; Sealed tube;

DOI:10.1002/chem.201604098

Reference yield: 69.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + m-Anisidine (536-90-3,918666-97-4) → 1-(3-methoxyphenyl)piperazine hydrochloride (6968-76-9)

Guidance literature:

In diethylene glycol dimethyl ether; at 150 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2020.112257

upstream raw materials:

piperazine

1-fluoro-3-methoxybenzene

bis-(2-chloroethyl)amine hydrochloride

m-Anisidine

Downstream raw materials:

1-(3-chloropropyl)-4-(3-methoxyphenyl)piperazine

(R)-methyl 2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-(4-(3-methoxyphenyl)piperazin-1-yl)-3,4-dihydroquinazolin-4-yl)acetate

Refernces

• 1、 Wang, Chao,Li, Yuelin,Liu, Zi,Wang, Zeyu,Liu, Zihan,Man, Shuai,Zhang, Yujing,Bao, Kai,Wu, Yingliang,Guan, Qi,Zuo, Daiying,Zhang, Weige. "Design, synthesis and biological evaluation of 1-Aryl-5-(4-arylpiperazine-1-carbonyl)-1H-tetrazols as novel microtubule destabilizers". . p. 549 - 560. Retrieved 2021/02/05.
• 2、 Chittiboyina, Amar G.,Doerksen, Robert J.,Modi, Gyan,Nayak, Prasanta Kumar,Pandey, Amruta,Pandey, Pankaj,Priya, Khushbu,Rai, Geeta,Shankar, Gauri,Singh, Yash Pal,Tej, Gullanki Naga Venkata Charan,Vishwakarma, Swati. "Design, synthesis and biological evaluation of novel naturally-inspired multifunctional molecules for the management of Alzheimer's disease". . . Retrieved 2020/05/05.