80518-57-6

Basic information

• Product Name: 4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER
• Synonyms: ETHYL 4-(1-PIPERAZINO)BENZOATE;ETHYL 4-(PIPERAZIN-1YL)BENZOATE;4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER;4-(PIPERAZINE-1-YL)-BENZOIC ACID ETHYL ESTER;4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER >98%;1-(4-Carbethoxyphenyl)-piperazin;Ethyl 4-(1-piperazinyl)benzoate;1-(4-Ethoxycarbonylphenyl)piperazine
• CAS NO: 80518-57-6
• Molecular Formula: C₁₃H₁₈N₂O₂
• Molecular Weight: 234.29
• Product Categories: piperazines;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 80518-57-6.mol
• Article Data: 22

Chemical Properties

• Melting Point: 102-105°C
• Boiling Point: 388.9 ºC at 760 mmHg
• Flash Point: 189 ºC
• Appearance: /
• Density: 1.104 g/cm³
• Vapor Pressure: 2.96E-06mmHg at 25°C
• Refractive Index: 1.536
• Solubility: Chloroform, DMSO, Methanol
• PKA: 8.82±0.10(Predicted)
• CAS DataBase Reference: 4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER(80518-57-6)
• EPA Substance Registry System: 4-(PIPERAZIN-1-YL)-BENZOIC ACID ETHYL ESTER(80518-57-6)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• Hazardous Substances Data: 80518-57-6(Hazardous Substances Data)

Usage

Chemical Properties

Pale Yellow Solid

Uses

Intermediate in the production of ABT 737

InChI:InChI=1/C13H18N2O2/c1-2-17-13(16)11-3-5-12(6-4-11)15-9-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3

Upstream product

• 17159-79-4 ethyl 4-oxocyclohexane-1-carboxylate 
• 110-85-0 piperazine 
• 451-46-7 4-fluorobenzoic acid ethyl ester 
• 234082-33-8 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylic acid tert-butyl ester 
• 5798-75-4 Ethyl 4-bromobenzoate 
• 586-76-5 4-Bromobenzoic acid 
• 7664-93-9 sulfuric acid 
• 821-48-7 bis-(2-chloroethyl)amine hydrochloride 
• 94-09-7 p-aminoethylbenzoate 
• 71-36-3 butan-1-ol 
• 43204-63-3 bis(2-bromoethyl)amine hydrobromide 

Downstream Products

• 1024589-91-0 C₁₆H₂₄N₂O₂ 
• 140478-92-8 4-[4-[2-(3-methyl-2-oxazolidinon-5-yl)ethyl]-1-piperazinyl]benzoic acid ethyl ester 
• 926934-01-2 4-[4-(2-bromo-benzyl)-piperazin-1-yl]-benzoic acid ethyl ester 
• 1065604-64-9 ethyl 4-(4-((2-(4-chlorophenyl)cyclohex-1-enyl)methyl)piperazin-1-yl)benzoate 
• 1242283-83-5 ethyl 4-(4-(2-hydroxyethyl)piperazin-1-yl)benzoate 

Relevant articles and documents

Electrochemical Cross-Dehydrogenative Aromatization Protocol for the Synthesis of Aromatic Amines

The introduction of amines onto aromatics without metal catalysts and chemical oxidants is synthetically challenging. Herein, we report the first example of an electrochemical cross-dehydrogenative aromatization (ECDA) reaction of saturated cyclohexanones and amines to construct anilines without additional metal catalysts and chemical oxidants. This reaction exhibits a broad scope of cyclohexanones including heterocyclic ketones, affording a variety of aromatic amines with various functionalities, and shows great potential in the synthesis of biologically active compounds.

Development of an SNAr Reaction: A Practical and Scalable Strategy to Sequester and Remove HF

A simple and operationally practical method to sequester and remove fluoride generated through the SNAr reaction between amines and aryl fluorides is reported. Calcium propionate acts as an inexpensive and environmentally benign in situ scrubbe

INHIBITING B-CELL LYMPHOMA 2 (BCL-2) AND RELATED PROTEINS

Novel compounds inhibiting anti-apoptosis proteins B-cell lymphoma 2 (Bcl-2) and Bcl-XL include compounds of formula (I) and formula (II) disclosed herein, as well as liposome compositions comprising Bcl-2 inhibitor compounds. These compositions are usefu