13018-41-2

Basic information

• Product Name: butane-1,4-diyl diacetoacetate
• Synonyms: butane-1,4-diyl diacetoacetate;Butanoic acid, 3-oxo-, 1,4-butanediyl ester;Einecs 235-873-9
• CAS NO: 13018-41-2
• Molecular Formula: C₁₂H₁₈O₆
• Molecular Weight: 258.26772
• EINECS: 235-873-9
• Mol File: 13018-41-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 371.4°Cat760mmHg
• Flash Point: 163.2°C
• Appearance: /
• Density: 1.133g/cm³
• Vapor Pressure: 1.04E-05mmHg at 25°C
• Refractive Index: 1.45
• CAS DataBase Reference: butane-1,4-diyl diacetoacetate(CAS DataBase Reference)
• NIST Chemistry Reference: butane-1,4-diyl diacetoacetate(13018-41-2)
• EPA Substance Registry System: butane-1,4-diyl diacetoacetate(13018-41-2)

Safety Data

• Hazardous Substances Data: 13018-41-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H18O6/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h3-8H2,1-2H3

Upstream product

• 674-82-8 4-methyleneoxetan-2-one 
• 110-63-4 Butane-1,4-diol 
• 1694-31-1 tert-butyl acetoacetate 
• 105-45-3 acetoacetic acid methyl ester 
• 141-97-9 ethyl acetoacetate 

Relevant articles and documents

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Multicomponent Combinatorial Polymerization via the Biginelli Reaction

A multicomponent combinatorial polymerization method has been exploited as a new intersection between combinatorial chemistry, polymer chemistry, and organic chemistry. The tricomponent Biginelli reaction has been employed as a model multicomponent reaction (MCR) to efficiently prepare a library of polycondensates with continuously changed chain structure but different physical properties. The naturally increased reaction modules (monomers) directly doubled the number of polymers in the library, effectively improving the efficiency of polymer preparation. The glass transition temperatures (Tg) of those homologous polymers have been mapped for the first time to predict the Tg values of absent polymer homologues with good to excellent accuracy. Meanwhile, the Tg maps have also been used to reveal the regular change in Tg according to the polymer structure (linking group, monomer chain length, etc.), initially suggesting the academic significance of the multicomponent combinatorial polymerization system. We believe that the current research paves a straightforward way to synthesize new libraries of polymers via MCRs and might prompt the broader study of MCRs in interdisciplinary fields.

KETOCARBOXYLIC ACIDS, METHODS OF MANUFACTURE AND USES THEREOF

Ketocarboxylic acids such as levulinic acid can be efficiently purified in high yield by esterification with a hydrocarbon polyol to the corresponding polyketocarboxylic ester, which can be readily purified, for example recrystallized. After purification, the ketocarboxylic ester can be hydrolyzed to provide pure ketocarboxylic acid, or a salt thereof, after removal of the esterifying hydrocarbon polyol, or used for other synthetic transformations. Advantageously, the polyketocarboxylic esters, ketocarboxylic acids, and salts thereof produced by this method are obtained in high purity.

Liquid oligomers containing acrylate unsaturation

The liquid oligomeric compositions of this invention are made by the Michael addition reaction of acetoacetate functional donor compounds with multifunctional acrylate receptor compounds where the equivalent ratios of multifunctional acrylate to acetoacetate vary from >/=1:1 to >/=13.2:1 depending on the functionality of both multifunctional acrylate and acetoacetate. Unuseable gelled or solid oligomer products occur below the claimed ranges. The liquid oligomers of this invention are further crosslinked to make coatings, laminates and adhesives.