518033-67-5

Basic information

• Product Name: 5-[tert-butoxycarbonyl-(3,5-di-tert-butylbenzyl)-amino]pentanoic acid
• Synonyms: 5-[tert-butoxycarbonyl-(3,5-di-tert-butylbenzyl)-amino]pentanoic acid
• CAS NO: 518033-67-5
• Molecular Weight: 419.605
• Mol File: 518033-67-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 5-[tert-butoxycarbonyl-(3,5-di-tert-butylbenzyl)-amino]pentanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-[tert-butoxycarbonyl-(3,5-di-tert-butylbenzyl)-amino]pentanoic acid(518033-67-5)
• EPA Substance Registry System: 5-[tert-butoxycarbonyl-(3,5-di-tert-butylbenzyl)-amino]pentanoic acid(518033-67-5)

Safety Data

• Hazardous Substances Data: 518033-67-5(Hazardous Substances Data)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 360569-39-7 N-(di-3,5-tert-butylbenzyl)-δ-valerolactam 
• 675-20-7 piperidin-2-one 
• 62938-08-3 3,5-di-tert-butylbenzyl bromide 

Downstream Products

• 518033-68-6 2-{5-[tert-butoxycarbonyl(3,5-di-tert-butylbenzyl)amino]pentanoylamino}-3-phenylpropanoic acid methyl ester 
• 1226053-07-1 Boc-Axle 

Relevant articles and documents

Structure-function relationship of amino acid-[2]rotaxanes

Synthetic methodology was developed to construct amino acid-[2]rotaxanes that have phenylalanine and 3,5-di-tert-butylbenzene as blocking groups and dibenzo-24-crown-8, derivatized with either N-acetylargininyl or a carboxylic group, as the ring. A relative measure of the intramolecular interaction energies between the functional groups in DMSO/water mixtures is obtained by comparing their pKa values. Rotaxane structures were investigated through 2D NMR analysis and molecular dynamics simulations. Association constants for complexes of amino acids and rotaxanes in various protonation states were determined in a variety of solvent systems by 1H NMR analysis. The unique intracomponent interactions that exist in the rotaxanes and their ability to act as artificial receptors are discussed.