1-(3-Methylphenyl)piperazine dihydrochloride hydrate

Base Information

• Chemical Name: 1-(3-Methylphenyl)piperazine dihydrochloride hydrate
• CAS No.: 178928-62-6
• Molecular Formula: C11H16N2.ClH
• Molecular Weight: 212.71900
• UNII: 4V85S2L7B9
• NSC Number: 150848,71662
• Mol file: 178928-62-6.mol

Synonyms:178928-62-6;1-(3-methylphenyl)piperazine hydrochloride;1-(3-methylphenyl)piperazine;hydrochloride;1-(3-METHYLPHENYL)PIPERAZINE DIHYDROCHLORIDE HYDRATE;N-(3-Methylphenyl)piperazine hydrochloride;NSC-71662;NSC-150848;SCHEMBL6965723;4V85S2L7B9;NSC71662;NSC150848;AKOS025149808;Piperazine, 1-(3-methylphenyl)-, hydrochloride;Piperazine, 1-(3-methylphenyl)-, hydrochloride (1:1);PIPERAZINE, 1-(3-METHYLPHENYL)-, MONOHYDROCHLORIDE

Chemical Property of 1-(3-Methylphenyl)piperazine dihydrochloride hydrate

Chemical Property:

• PSA: 15.27000
• LogP: 2.60040
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.1080262
• Heavy Atom Count: 14
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)N2CCNCC2.Cl

Technology Process of 1-(3-Methylphenyl)piperazine dihydrochloride hydrate

There total 4 articles about 1-(3-Methylphenyl)piperazine dihydrochloride hydrate 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: 64.0%

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 1-amino-3-methylbenzene (108-44-1) → 1-(m-tolyl)piperazine hydrochloride (13078-13-2,178928-62-6)

Guidance literature:

bis-(2-chloroethyl)amine hydrochloride; 1-amino-3-methylbenzene; In butan-1-ol; for 24h; Reflux;

With potassium carbonate; In butan-1-ol; for 48h; Reflux;

DOI:10.1111/cbdd.13324

Reference yield:

bis-(2-chloroethyl)amine hydrochloride (821-48-7) + 1-amino-3-methylbenzene (108-44-1) → C11H16N2*(x)ClH (178928-62-6)

Guidance literature:

With potassium carbonate; In butan-1-ol; at 150 ℃; for 0.5h; Microwave irradiation;

DOI:10.1080/14756366.2020.1759582

Reference yield:

tert-butyl 4-(m-tolyl)piperazine-1-carboxylate (1121596-67-5) → 1-(m-tolyl)piperazine hydrochloride (13078-13-2,178928-62-6)

Guidance literature:

With hydrogenchloride; water monomer; In ethyl acetate; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2022.116726

upstream raw materials:

bis-(2-chloroethyl)amine hydrochloride

1-amino-3-methylbenzene

tert-butyl 4-(m-tolyl)piperazine-1-carboxylate

meta-bromotoluene

Downstream raw materials:

(3-chlorophenyl)(4-(m-tolyl)piperazin-1-yl)methanone hydrochloride

1-(3-Methylphenyl)piperazine

(R)-(+)-N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-1-(benzyloxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

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

Refernces

• 1、 Wang, Chao,Wang, Zeyu,Gao, Minghuan,Li, Yuelin,Zhang, Yujing,Bao, Kai,Wu, Yingliang,Guan, Qi,Zuo, Daiying,Zhang, Weige. "Design, synthesis and anticancer activity of 5-aryl-4-(4-arylpiperazine-1-carbonyl)-1,2,3-thiadiazoles as microtubule-destabilizing agents". . . Retrieved 2020/12/21.
• 2、 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.