1-Ethyl-4-phenylpiperazine

Base Information

• Chemical Name: 1-Ethyl-4-phenylpiperazine
• CAS No.: 57498-25-6
• Molecular Formula: C12H18 N2
• Molecular Weight: 190.288
• Hs Code.: 2933599090
• NSC Number: 86989
• DSSTox Substance ID: DTXSID00293051
• Nikkaji Number: J642.465A
• Wikidata: Q82031616
• Pharos Ligand ID: LDK1ZTTG8NDA
• ChEMBL ID: CHEMBL4082927
• Mol file: 57498-25-6.mol

Synonyms:1-Ethyl-4-phenylpiperazine;57498-25-6;1-ethyl-4-phenyl-piperazine;CHEMBL4082927;NSC 86989;Piperazine, 1-ethyl-4-phenyl-;NSC86989;ethyl-4-phenyl piperazine;1-Phenyl-4-ethylpiperazine;NCIOpen2_000986;1-Ethyl-4-phenylpiperazine #;SCHEMBL1101883;DTXSID00293051;BDBM50241437;NSC-86989;AKOS006241941;FT-0691035

Chemical Property of 1-Ethyl-4-phenylpiperazine

Chemical Property:

• Vapor Pressure: 0.00272mmHg at 25°C
• Boiling Point: 285.9°Cat760mmHg
• Flash Point: 118.9°C
• PSA: 6.48000
• Density: 0.999g/cm³
• LogP: 1.83140
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

1-Ethyl-4-phenylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCN(CC1)C2=CC=CC=C2

Technology Process of 1-Ethyl-4-phenylpiperazine

There total 10 articles about 1-Ethyl-4-phenylpiperazine 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: 92.0%

4-ethylpiperazine (5308-25-8) + iodobenzene (591-50-4) → N-phenyl-N′-ethylpiperazine (57498-25-6)

Guidance literature:

With dibenzylphosphoramidous acid 1,1'-binaphthyl-2,2'-diyl ester; caesium carbonate; copper(I) bromide; In N,N-dimethyl-formamide; at 90 ℃; for 24h;

DOI:10.1016/j.tet.2006.02.062

Reference yield: 91.0%

4-ethylpiperazine (5308-25-8) + chlorobenzene (108-90-7) → N-phenyl-N′-ethylpiperazine (57498-25-6)

Guidance literature:

With dichloro(3-chloropyridinyl)(1,3-(diisopropylphenyl)-4,5-bis(dimethylamino)imidazol-2-ylidene)palladium(II); caesium carbonate; In 1,2-dimethoxyethane; at 80 ℃; for 24h; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1002/ejoc.201500030

Reference yield: 78.0%

4-ethylpiperazine (5308-25-8) + Phenyl triflate (17763-67-6) → N-phenyl-N′-ethylpiperazine (57498-25-6)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 198 - 206 ℃; for 0.75h; microwave irradiation;

DOI:10.1021/ol049963j

upstream raw materials:

ethyl bromide

4-phenyl-1-piperazine

1-phenylpiperazine hydrochloride

acetaldehyde

Downstream raw materials:

1-(4-bromophenyl)-4-ethylpiperazine

C₁₂H₁₇⁽¹²⁵⁾IN₂

Refernces

• 1、 Zhang, Yin,César, Vincent,Lavigne, Guy. "Efficient and versatile buchwald-hartwig amination of (hetero)aryl chlorides using the Pd-PEPPSI-IPr(NMe2)2 precatalyst in the presence of carbonate base". . p. 2042 - 2050. Retrieved 2015/03/18.
• 2、 Zhang, Zhanjin,Mao, Jincheng,Zhu, Di,Wu, Fan,Chen, Huilin,Wan, Boshun. "Highly efficient and practical phosphoramidite-copper catalysts for amination of aryl iodides and heteroaryl bromides with alkylamines and N(H)-heterocycles". . p. 4435 - 4443. Retrieved 2007/10/03.