28009-80-5

Basic information

• Product Name: DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE
• Synonyms: DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE;DI-TERT-BUTYL 3-OXOGLUTARATE;bis(1,1-dimethylethyl) 3-oxoglutarate;3-Oxoglutaric acid di-tert-butyl ester;3-Oxopentanedioic acid di-tert-butyl ester
• CAS NO: 28009-80-5
• Molecular Formula: C₁₃H₂₂O₅
• Molecular Weight: 258.31
• EINECS: 248-775-6
• Mol File: 28009-80-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 58-60 °C(lit.)
• Boiling Point: 304.4°Cat760mmHg
• Flash Point: 127.4°C
• Appearance: /
• Density: 1.044g/cm³
• Vapor Pressure: 0.000876mmHg at 25°C
• Refractive Index: 1.444
• Storage Temp.: 2-8°C
• Solubility: methanol: soluble1g/10 mL, clear, colorless to faintly yellow
• BRN: 2272995
• CAS DataBase Reference: DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE(28009-80-5)
• EPA Substance Registry System: DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE(28009-80-5)

Safety Data

• WGK Germany: 3
• F: 21
• Hazardous Substances Data: 28009-80-5(Hazardous Substances Data)

Usage

Description

DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE is an organic compound that is primarily utilized as an intermediate in the synthesis of various chemical compounds. It is characterized by its unique chemical structure, which features a 1,3-acetonedicarboxylate core with two tert-butyl groups attached.

Uses

Used in Chemical Synthesis:
DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE is used as a synthetic intermediate for the production of di-tert-butyl 2,3-pentadienedioate. This application is significant because it allows for the creation of new compounds with potential applications in various industries, such as pharmaceuticals, materials science, and more.

InChI:InChI=1/C13H22O5/c1-12(2,3)17-10(15)7-9(14)8-11(16)18-13(4,5)6/h7-8H2,1-6H3

Upstream product

• 463-51-4 Ketene 
• 1663-67-8 malonoyl dichloride 
• 75-65-0 tert-butyl alcohol 
• 40052-13-9 mono-tert-butyl malonate 
• 40204-26-0 malonic acid monobenzyl ester 
• 542-05-2 acetonedicarboxylic acid 
• 115-11-7 isobutene 
• 558-17-8 tert-Butyl iodide 

Downstream Products

• 1577256-57-5 C₂₂H₃₃NO₆ 

Relevant articles and documents

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An expedient synthesis of spirooxindoles incorporating 2-amino pyran-3-carbonitrile unit employing dialkyl acetone-1,3-dicarboxylates

Spirooxindoles are a class of molecules possessing significant biological effects such as antiviral, antifungal, antibacterial and anticancer properties. Herein we report a series of spirooxindole molecules having 2-amino pyran-3-carbonitrile and with two ester groups. These molecules were prepared by the reaction of dialkyl acetone-1,3-dicarboxylate and isatilidenes in the presence of triethyl amine.

Self-condensation of activated malonic acid half esters: A model for the decarboxylative Claisen condensation in polyketide biosynthesis

The reaction of a malonic acid half oxyester with a N-hydroxysuccinimidyl ester-forming reagent resulted in self-condensation to provide the corresponding 1,3-acetonedicarboxylic acid diester. This new method does not require a divalent metal chelator or a coordinating solvent for successful condensation.