82701-01-7

Basic information

• Product Name: octadecyl furan-2-carboxylate
• CAS NO: 82701-01-7
• Molecular Formula: C₂₃H₄₀O₃
• Molecular Weight: 364.5619
• Mol File: 82701-01-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 451.4°C at 760 mmHg
• Flash Point: 226.8°C
• Density: 0.933g/cm³
• Vapor Pressure: 2.43E-08mmHg at 25°C
• Refractive Index: 1.47
• CAS DataBase Reference: octadecyl furan-2-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: octadecyl furan-2-carboxylate(82701-01-7)
• EPA Substance Registry System: octadecyl furan-2-carboxylate(82701-01-7)

Safety Data

• Hazardous Substances Data: 82701-01-7(Hazardous Substances Data)

Upstream product

• 98-01-1 furfural 
• 112-92-5 1-octadecanol 
• 611-13-2 2-furoic acid methyl ester 

Relevant articles and documents

Nucleophilic acyl substitutions of esters with protic nucleophiles mediated by amphoteric, oxotitanium, and vanadyl species

(Chemical Equation Presented) A diverse array of oxometallic species were examined as catalysts in nucleophilic acyl substitution (NAS) reactions of methyl (or ethyl) esters with protic nucleophiles. Among them, oxotitanium acetylacetonate (TiO(acac)2) and vanadyl chloride (VOCl 2-(THF)x) served as the most efficient and water-tolerant catalysts. Transesterifications of methyl and/or ethyl esters with functionalized (including acid- or base-sensitive) 1° and 2° alcohols can be carried out chemoselectively in refluxed toluene or xylene in a 1:1 substrate stoichiometry using 1 mol % catalyst loading. The resultant products were furnished in 85-100% yields by simple aqueous workup to remove water-soluble catalysts. The new NAS protocol is also amenable to amines and thiols in 74-91% yields, albeit with higher loading (2.5 equiv) of protic nucleophiles. Representative examples of commercial interests such as Padimate O and antioxidant additives for plastics were also examined to demonstrate their practical applications. A 1:1 adduct between TiO(acac)2 and a given 1-octadecanol was identified as (C18H37O) 2Ti(acac)2 and was responsible for its subsequent NAS of methyl esters.