Ethyl 2-(4-benzylpiperazin-1-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(4-benzylpiperazin-1-yl)acetate
• CAS No.: 23173-76-4
• Molecular Formula: C15H22 N2 O2
• Molecular Weight: 262.352
• Hs Code.: 2933599090
• European Community (EC) Number: 681-843-7
• ChEMBL ID: CHEMBL1221940
• DSSTox Substance ID: DTXSID90407903
• Wikidata: Q82213246
• Mol file: 23173-76-4.mol

Synonyms:23173-76-4;ethyl 2-(4-benzylpiperazin-1-yl)acetate;1-BENZYL-4-(ETHOXYCARBONYLMETHYL)PIPERAZINE;(4-Benzylpiperazin-1-yl)acetic Acid Ethyl Ester-d8;Ethyl 4-benzylpiperazineacetate;CID5060109;SCHEMBL4083554;CHEMBL1221940;BDBM36369;DTXSID90407903;CGEGJBMEYWWPNX-UHFFFAOYSA-N;ethyl 2-(4-benzylpiperazino)acetate;MFCD01076590;AKOS003974144;N-BENZOYL-N,N-DIISOBUTYLTHIOUREA;BP-11792;CS-0336310;FT-0607401;(4-Benzylpiperazin-1-yl)-acetic acid ethyl ester, 7

Chemical Property of Ethyl 2-(4-benzylpiperazin-1-yl)acetate

Chemical Property:

• Vapor Pressure: 2.17E-05mmHg at 25°C
• Refractive Index: 1.5183
• Boiling Point: 155-160°C 0,8mm
• PKA: 6.63±0.10(Predicted)
• Flash Point: 155-160°C/0.8mm
• PSA: 32.78000
• Density: 1.088g/cm³
• LogP: 1.24310
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 262.168127949
• Heavy Atom Count: 19
• Complexity: 269

Purity/Quality:

98%Min ^*data from raw suppliers

(4-Benzylpiperazin-1-yl)aceticAcidEthylEster-d8 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1CCN(CC1)CC2=CC=CC=C2

Technology Process of Ethyl 2-(4-benzylpiperazin-1-yl)acetate

There total 7 articles about Ethyl 2-(4-benzylpiperazin-1-yl)acetate 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: 100.0%

1-phenylmethylpiperazine (2759-28-6) + ethyl bromoacetate (105-36-2) → ethyl 2-(4-benzylpiperazin-1-yl)acetate (23173-76-4)

Guidance literature:

In benzene; at 20 ℃; for 2h;

Reference yield: 95.0%

1-phenylmethylpiperazine (2759-28-6) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(4-benzylpiperazin-1-yl)acetate (23173-76-4)

Guidance literature:

With TEA; In toluene; at 80 ℃; for 7h;

DOI:10.1021/jm001088u

Reference yield: 86.0%

benzyl chloride (100-44-7) + 1-(Ethoxycarbonylmethyl)piperazine (40004-08-8) → ethyl 2-(4-benzylpiperazin-1-yl)acetate (23173-76-4)

Guidance literature:

With potassium carbonate; In acetone; for 22h; Reflux;

upstream raw materials:

dihydrochloride salt of 1-benzylpiperazine

chloroacetic acid ethyl ester

1-phenylmethylpiperazine

ethyl bromoacetate

Downstream raw materials:

2-(4-benzylpiperazin-1-yl)-N'-(3,5-diallyl-2-hydroxybenzylidene)acetohydrazide

2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

C₂₀H₂₃N₇O₂

N'-(3-allyl-2-methoxybenzylidene)-2-(4-benzylpiperazin-1-yl)acetohydrazide

Refernces

• 1、 Oezturan Oezer, Eda,Unsal Tan, Oya,Ozadali, Keriman,Kuecuekkilinc, Tuba,Balkan, Ayla,Ucar, Guelberk. "Synthesis, molecular modeling and evaluation of novel N′-2-(4- benzylpiperidin-/piperazin-1-yl)acylhydrazone derivatives as dual inhibitors for cholinesterases and Aβ aggregation". supporting information. p. 440 - 443. Retrieved 2013/02/23.
• 2、 -. "COMPOSITIONS AND METHODS INCLUDING CELL DEATH INDUCERS AND PROCASPASE ACTIVATION". Page/Page column 68. . Retrieved 2008/12/08.