27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid 1,1-dimethylethyl ester
[CAS# 756526-06-4]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Carboxylic esters and their derivatives
• Name: 27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid 1,1-dimethylethyl ester
• Synonyms: tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• Molecular Formula: C₂₃H₄₇NO₁₀
• Molecular Weight: 497.62
• CAS Registry Number: 756526-06-4
• EC Number: 856-556-7
• SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN

Properties

• Solubility: Very soluble (1000 g/L) (25 °C), Calc.^*
• Density: 1.067±0.06 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 544.3±45.0 °C (760 Torr), Calc.^*
• Flash point: 100.1±25.0 °C, Calc.^*
• Index of refraction: 1.461 (Calc.)^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H315-H319-H335
• Safety Statements: P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Discovery and Applications

27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid 1,1-dimethylethyl ester is a chemical compound featuring a long alkyl chain with several oxygen-containing functional groups. This compound belongs to the class of amides, esters, and polyether derivatives. It is characterized by the presence of a large polyether backbone, which is made up of eight oxygen atoms in the chain, and an amino group at the 27th carbon atom.

This type of structure often imparts particular physical and chemical properties, such as increased solubility in polar solvents, improved thermal stability, and enhanced molecular flexibility. The ester group, formed by the reaction of the amino acid with an alcohol (in this case, 1,1-dimethylethyl alcohol or tert-butyl alcohol), further modulates the compound’s solubility and reactivity.

The compound’s structure includes a long, aliphatic chain (heptacosanoic acid) that is commonly used in various chemical applications, particularly in the development of surfactants, lubricants, or other products that require the incorporation of hydrophobic and hydrophilic properties into a single molecule. The oxygen atoms in the polyether segment help balance the hydrophilic and hydrophobic nature of the molecule, which can be useful in applications like detergents, emulsifiers, or in drug delivery systems.

Due to the presence of an amino group, this compound might also exhibit some reactivity typical of amino acids, such as the ability to form salts with acids or participate in peptide synthesis. The amide functionality, in particular, could lend itself to interaction with a variety of biological targets, though further studies would be necessary to explore its potential uses in biotechnology or pharmacology.

The tert-butyl ester group is significant in improving the compound's stability and controlling the release of the parent acid or amino acid. By providing steric hindrance around the carboxyl group, the tert-butyl ester can also slow down hydrolysis under certain conditions, which may be beneficial in drug delivery or controlled-release formulations.

Overall, 27-amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid 1,1-dimethylethyl ester appears to be a compound of interest for applications involving molecular engineering, potentially for the synthesis of specialized surfactants or materials with unique solubility and stability properties.