116967-26-1

Basic information

• Product Name: TERT-BUTYL 3,5-DIOXOHEXANOATE
• Synonyms: TERT-BUTYL 3,5-DIOXOHEXANOATE;3,5-Dioxohexanoic acid tert-butyl ester;Hexanoic acid, 3,5-dioxo-, 1,1-diMethylethyl ester;3,5-Dioxo-heptenoic acid t-butyl ester
• CAS NO: 116967-26-1
• Molecular Formula: C10H16O4
• Molecular Weight: 200.232
• EINECS: 1592732-453-0
• Mol File: 116967-26-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 263.905 °C at 760 mmHg
• Flash Point: 109.764 °C
• Appearance: /
• Density: 1.046 g/cm³
• CAS DataBase Reference: TERT-BUTYL 3,5-DIOXOHEXANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 3,5-DIOXOHEXANOATE(116967-26-1)
• EPA Substance Registry System: TERT-BUTYL 3,5-DIOXOHEXANOATE(116967-26-1)

Safety Data

• Hazardous Substances Data: 116967-26-1(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Synthetic Communications, 18, p. 735, 1988 DOI: 10.1080/00397918808077363

Upstream product

• 1694-31-1 tert-butyl acetoacetate 
• 78191-00-1 N-Methoxy-N-methylacetamide 
• 33400-61-2 t-Butyl 3-oxopentanoate 
• 125404-65-1 tert-butyl 5-hydroxy-4a-oxohexanoate 
• 84257-12-5 2,2-dimethyl-5-(1-hydroxy-3-oxobutylidene)-1,3-dioxane-4,6-dione 
• 75-65-0 tert-butyl alcohol 

Downstream Products

• 166803-31-2 (E)-7-[2-cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dioxo-hept-6-enoic acid ethyl ester 
• 1344117-94-7 (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3R,5S)-3,5-hydroxy-6-heptenoic acid n-propylamine salt 
• 119067-60-6 (6R)-6-methyl-5,6-dihydro-2H-pyran-2-one 

Relevant articles and documents

Enzymatic reductions for the regio-and stereoselective synthesis of hydroxy-keto esters and dihydroxy esters

Ketoreductases were utilized for the stereoselective synthesis of δ-hydroxy-β-keto esters, β-hydroxy-δ-keto esters, and β,δ-dihydroxy esters. Seven out of eight possible stereoisomers were obtained from the enzymatic reduction of the corresponding β,δ-diketo ester in high enantio-and diastereomeric excess.

ROSUVASTATIN CALCIUM AND PROCESS FOR PRODUCING INTERMEDIATE THEREOF

An object of the present invention is to provide a novel method capable of producing rosuvastatin calcium and intermediates therefor efficiently, inexpensively and with high purity. The present invention provides a method of efficiently producing rosuvastatin calcium and intermediates therefor having a high purity at an industrial scale, without using an extremely low temperature reaction or a special asymmetric catalyst.

A total synthesis of xestodecalactone A and proof of its absolute stereochemistry: Interesting observations on dienophilic control with 1,3-disubstituted nonequivalent allenes

A concise total synthesis of xestodecalactone A, utilizing a Diels-Alder strategy is described. The focal Diels-Alder reaction relied on an "ynoate" dienophile to rapidly assemble the required resorcylinic acid scaffold. During this study, Diels-Alder cycloaddition reactions involving 1,3-disubstituted nonequivalent allene dienophiles were studied, and some surprising results were encountered.