80518-57-6 | 4-(Piperazin-1-yl)-benzoic acid ethyl ester

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$13.00	$9.00
5g	97%	in stock	$24.00	$17.00
10g	97%	in stock	$45.00	$32.00
25g	97%	in stock	$88.00	$62.00

Description

• Catalog Number: AB73797
• Chemical Name: 4-(Piperazin-1-yl)-benzoic acid ethyl ester
• CAS Number: 80518-57-6
• Molecular Formula: C13H18N2O2
• Molecular Weight: 234.29422000000008
• MDL Number: MFCD04973340
• SMILES: CCOC(=O)c1ccc(cc1)N1CCNCC1

Computed Properties

• Complexity: 244
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• XLogP3: 1.4

Upstream Synthesis Route

Benzoic acid, 4-(1-piperazinyl)-, ethyl ester serves as a crucial reagent in chemical synthesis, particularly in the pharmaceutical industry. This compound is commonly utilized as a building block in the preparation of various pharmaceutical intermediates and active pharmaceutical ingredients (APIs). Its versatile nature allows for the introduction of the piperazine moiety into organic molecules, enabling the modification of chemical structures to achieve desired biological activities or pharmacological properties. In the realm of medicinal chemistry, the incorporation of the 4-(1-piperazinyl) group facilitated by this ethyl ester derivative plays a significant role in the development of potential drug candidates targeting various therapeutic areas. Through its involvement in synthetic pathways, this compound contributes to the creation of novel pharmaceutical compounds with tailored characteristics and improved drug efficacy.