1-Piperazineacetic acid, 4-phenyl-, ethyl ester

Base Information

• Chemical Name: 1-Piperazineacetic acid, 4-phenyl-, ethyl ester
• CAS No.: 56968-26-4
• Molecular Formula: C14H20N2O2
• Molecular Weight: 248.325
• DSSTox Substance ID: DTXSID70205540
• Nikkaji Number: J397.681E
• Wikidata: Q83079143
• Mol file: 56968-26-4.mol

Synonyms:BRN 0252427;Ethyl 4-phenyl-1-piperazineacetate;1-Piperazineacetic acid, 4-phenyl-, ethyl ester;4-23-00-00265 (Beilstein Handbook Reference);56968-26-4;ethyl 2-(4-phenylpiperazin-1-yl)acetate;SCHEMBL14860445;DTXSID70205540;OHSLVANDVCNDGK-UHFFFAOYSA-N;ethyl 2-(4-phenylpiperazino)acetate;AKOS003973923;LS-110127;4-Phenylpiperazine-1-acetic acid ethyl ester

Chemical Property of 1-Piperazineacetic acid, 4-phenyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 2.29E-05mmHg at 25°C
• Boiling Point: 360°Cat760mmHg
• Flash Point: 171.5°C
• Density: 1.094g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 248.152477885
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CN1CCN(CC1)C2=CC=CC=C2

Technology Process of 1-Piperazineacetic acid, 4-phenyl-, ethyl ester

There total 4 articles about 1-Piperazineacetic acid, 4-phenyl-, ethyl ester 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: 93.0%

4-phenyl-1-piperazine (92-54-6) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(4-phenyl-piperarazin-1-yl)acetate (56968-26-4)

Guidance literature:

With sodium hydrogencarbonate; In acetone; Reflux;

DOI:10.1021/co2001372

Reference yield: 93.0%

→ ethyl 2-(4-phenyl-piperarazin-1-yl)acetate (56968-26-4)

Guidance literature:

With sodium hydrogencarbonate; In chloroform; acetone; Reflux;

Reference yield: 75.0%

4-phenyl-1-piperazine (92-54-6) + ethyl bromoacetate (105-36-2) → ethyl 2-(4-phenyl-piperarazin-1-yl)acetate (56968-26-4)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃;

DOI:10.1021/acs.joc.8b02564

upstream raw materials:

4-phenyl-1-piperazine

chloroacetic acid ethyl ester

ethyl bromoacetate

diazoacetic acid ethyl ester

Downstream raw materials:

1-(2-hydroxyethyl)-4-phenylpiperazine

4-phenyl-1-piperazineacetic acid benzylidenehydrazide

4-phenyl-1-piperazineacetic acid salicylidenehydrazide

Refernces

• 1、 Mermer, Arif,Faiz, Ozlem,Demirbas, Ahmet,Demirbas, Neslihan,Alagumuthu, Manikandan,Arumugam, Sivakumar. "Piperazine-azole-fluoroquinolone hybrids: Conventional and microwave irradiated synthesis, biological activity screening and molecular docking studies". . p. 308 - 318. Retrieved 2019/01/16.
• 2、 Khanam, Rashmin,Kumar, Raj,Hejazi, Iram Iqbal,Shahabuddin, Syed,Meena, Ramovatar,Jayant, Vikrant,Kumar, Prabhat,Bhat, Abdul Roouf,Athar, Fareeda. "Piperazine clubbed with 2-azetidinone derivatives suppresses proliferation, migration and induces apoptosis in human cervical cancer HeLa cells through oxidative stress mediated intrinsic mitochondrial pathway". . p. 113 - 131. Retrieved 2018/01/27.