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Ethyl 1,4-dibenzylpiperazine-2-carboxylate is an organic compound that serves as a key reactant in the synthesis of various chemical compounds, particularly in the preparation of (benzyl)(alkyl)(imidazolyl)piperazines and their isoteric analogs. It is characterized by its unique chemical structure, which contributes to its reactivity and utility in chemical synthesis.

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  • 72351-59-8 Structure
  • Basic information

    1. Product Name: Ethyl 1,4-dibenzylpiperazine-2-carboxylate
    2. Synonyms: BUTTPARK 32\04-68;ETHYL 1,4-DIBENZYLPIPERAZINE-2-CARBOXYLATE;1,4-dibenzylpiperazine-2-carboxylicacidethylester;2-Piperazinecarboxylic acid, 1,4-bis(phenylMethyl)-, ethyl ester;ethyl 1,4-diphenethylpiperazine-2-carboxylate
    3. CAS NO:72351-59-8
    4. Molecular Formula: C21H26N2O2
    5. Molecular Weight: 338.44
    6. EINECS: N/A
    7. Product Categories: Piperazine series
    8. Mol File: 72351-59-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 200 °C
    3. Flash Point: 221.1 °C
    4. Appearance: /
    5. Density: 1.13 g/cm3
    6. Vapor Pressure: 5.2E-08mmHg at 25°C
    7. Refractive Index: 1.579
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 5.88±0.10(Predicted)
    11. CAS DataBase Reference: Ethyl 1,4-dibenzylpiperazine-2-carboxylate(CAS DataBase Reference)
    12. NIST Chemistry Reference: Ethyl 1,4-dibenzylpiperazine-2-carboxylate(72351-59-8)
    13. EPA Substance Registry System: Ethyl 1,4-dibenzylpiperazine-2-carboxylate(72351-59-8)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39-37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 72351-59-8(Hazardous Substances Data)

72351-59-8 Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 1,4-dibenzylpiperazine-2-carboxylate is used as a reactant for the synthesis of (benzyl)(alkyl)(imidazolyl)piperazines and isoteric analogs, which are important in the development of new pharmaceutical compounds. These synthesized compounds have potential applications in the treatment of various medical conditions, making Ethyl 1,4-dibenzylpiperazine-2-carboxylate a valuable component in the pharmaceutical industry.
Used in Chemical Research:
In addition to its pharmaceutical applications, Ethyl 1,4-dibenzylpiperazine-2-carboxylate is also used as a reactant in chemical research. Its unique structure allows for the exploration of new chemical reactions and the development of novel compounds with potential applications in various fields, including materials science, agriculture, and environmental science.

Check Digit Verification of cas no

The CAS Registry Mumber 72351-59-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,3,5 and 1 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 72351-59:
(7*7)+(6*2)+(5*3)+(4*5)+(3*1)+(2*5)+(1*9)=118
118 % 10 = 8
So 72351-59-8 is a valid CAS Registry Number.
InChI:InChI=1/C21H26N2O2/c1-2-25-21(24)20-17-22(15-18-9-5-3-6-10-18)13-14-23(20)16-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3

72351-59-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 1,4-dibenzylpiperazine-2-carboxylate

1.2 Other means of identification

Product number -
Other names ethyl 1,4-dibenzyl-2-piperazinecarboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:72351-59-8 SDS

72351-59-8Relevant articles and documents

TRICYCLIC PYRIDONES AND PYRIMIDONES

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Paragraph 0789; 0793-0794, (2021/06/26)

A compound of Formula (I) is provided: (I) where the variables are defined herein.

2-carboxyl piperazine linked tacrine-8-amino(hydroxyl) quinoline derivative as well as preparation and application

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Paragraph 0060-0063, (2019/08/06)

The invention relates to the technical field of chemical synthesis, and specifically relates to a 2-carboxyl piperazine linked tacrine-8-amino(hydroxyl) quinoline derivative as well as preparation andapplication. The 2-carboxyl piperazine linked tacrine-8-amino(hydroxyl) quinoline derivative is a chemical compound shown in a formula I (the formula I is shown in the description) or a pharmaceutically acceptable salt thereof, and a solvent chemical compound, an enantiomer, a diastereoisomer, a tautomer or a mixture in any proportion of the chemical compound shown in the formula I or the pharmaceutically acceptable salt thereof, and includes a racemic mixture. Confirmed by a pharmacological test, the kind of chemical compound has an inhibiting effect on the activity of acetylcholinesterase(AChE) and butyrylcholinesterase(BuChE), and belongs to a cholinesterase inhibitor; the chemical compound also has an inhibiting effect on self-aggregation of beta-amyloid protein, and has delayed action on hydrolysis of acetylcholine and self-aggregation of the beta-amyloid protein, thereby improving the effect of the acetylcholine on a synapse, and finally realizing the purpose of effectively treating alzheimer's disease (AD).

SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF

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Page/Page column 35, (2018/03/01)

Disclosed are compounds having potency in the modulation of NMDA receptor activity. Such compounds can be used in the treatment of conditions such as depression and related disorders. Orally delivered formulations and other pharmaceutically acceptable delivery forms of the compounds, including intravenous formulations, are also disclosed.

Design, synthesis and evaluation against Mycobacterium tuberculosis of azole piperazine derivatives as dicyclotyrosine (cYY) mimics

El-wahab, Hend A.A. Abd,Accietto, Mauro,Marino, Leonardo B.,McLean, Kirsty J.,Levy, Colin W.,Abdel-Rahman, Hamdy M.,El-Gendy, Mahmoud A.,Munro, Andrew W.,Aboraia, Ahmed S.,Simons, Claire

supporting information, p. 161 - 176 (2017/11/29)

Three series of azole piperazine derivatives that mimic dicyclotyrosine (cYY), the natural substrate of the essential Mycobacterium tuberculosis cytochrome P450 CYP121A1, were prepared and evaluated for binding affinity and inhibitory activity (MIC) against M. tuberculosis. Series A replaces one phenol group of cYY with a C3-imidazole moiety, series B includes a keto group on the hydrocarbon chain preceding the series A imidazole, whilst series C explores replacing the keto group of the piperidone ring of cYY with a CH2-imidazole or CH2-triazole moiety to enhance binding interaction with the heme of CYP121A1. The series displayed moderate to weak type II binding affinity for CYP121A1, with the exception of series B 10a, which displayed mixed type I binding. Of the three series, series C imidazole derivatives showed the best, although modest, inhibitory activity against M. tuberculosis (17d MIC = 12.5 μg/mL, 17a 50 μg/mL). Crystal structures were determined for CYP121A1 bound to series A compounds 6a and 6b that show the imidazole groups positioned directly above the haem iron with binding between the haem iron and imidazole nitrogen of both compounds at a distance of 2.2 ?. A model generated from a 1.5 ? crystal structure of CYP121A1 in complex with compound 10a showed different binding modes in agreement with the heterogeneous binding observed. Although the crystal structures of 6a and 6b would indicate binding with CYP121A1, the binding assays themselves did not allow confirmation of CYP121A1 as the target.

QUINOLINE DERIVATIVES AS SMO INHIBITORS

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Paragraph 0110; 0111, (2017/02/28)

Disclosed are quinoline derivatives as hedgehog pathway inhibitors, especially as SMO inhibitors. Compounds of the present invention can be used in treating diseases relating to hedgehog pathway including cancer.

DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS

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Paragraph 1207 - 1209, (2015/06/10)

Provided herein are dihydropyrimidine compounds and their pharmaceutical applications, especially for use in treating and preventing HBV diseases. Specifically, provided herein are compounds having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof, wherein the variables of the formulas are as defined in the specification. Also provided herein is the use of the compounds having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof for treating and preventing HBV diseases.

DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS

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Paragraph 00473, (2014/03/25)

Provided herein are dihydropyrimidine compounds and their pharmaceutical applications, especially for use in treating and preventing HBV diseases. Specifically,provided herein are compounds having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof, wherein the variables of the formulas are as defined in the specification. Also provided herein is the use of the compounds having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof for treating and preventing HBV diseases.

COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS

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Page/Page column 111-112, (2013/02/28)

Provided are compounds of formula (I), wherein X, Y, Z, W, V, R2, R3 and m are defined as in the description. Their pharmaceutical compositions and their uses as IDH1 mutants inhibitors for treating cancers are also provided

Rapid access to 1-benzyl 2-substituted piperazines: Application to the synthesis of 1-benzyl-2-difluoromethyl-piperazine

Napolitano, Carmela,Borriello, Manuela,Cardullo, Francesca,Donati, Daniele,Paio, Alfredo,Manfredini, Stefano

experimental part, p. 2031 - 2035 (2011/07/30)

A rapid and efficient synthesis of 1-benzyl-2-difluoromethyl-piperazine is herein described. The new pathway has the advantage of avoiding orthogonal protection at the two piperazine nitrogen atoms; therefore it is suitable for access to several 1-benzyl

Composition Comprising An NK-1 Receptor Antagonist And An SSRI For The Treatment Of Tinnitus And Hearing Loss

-

, (2010/12/29)

The present invention relates to methods for treating a subject suffering from tinnitus, hearing loss, or tinnitus and hearing loss comprising administering to the subject an effective amount of an NK1 receptor antagonist alone, or in combination with an

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