38941-46-7

Usage

Uses

Used in Flavoring Agents:
Methyl 3,3-dimethyl-2-oxobutyrate is utilized as a flavoring agent in the food industry, primarily due to its fruity and sweet aroma. It enhances the taste and aroma of various food products, providing a pleasant sensory experience for consumers.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, methyl 3,3-dimethyl-2-oxobutyrate serves as a key intermediate in the synthesis of various organic compounds and pharmaceuticals. Its unique chemical structure allows for the development of new drugs and medications, contributing to advancements in healthcare and medicine.
Used in Organic Compounds Synthesis:
Methyl 3,3-dimethyl-2-oxobutyrate is also employed in the synthesis of other organic compounds, such as fragrances, dyes, and specialty chemicals. Its versatile chemical properties make it a valuable building block in the creation of a wide range of products across different industries.

InChI:InChI=1/C7H12O3/c1-7(2,3)5(8)6(9)10-4/h1-4H3

Upstream product

• 74128-95-3 O-Methyl 3,3-dimethyl-2-oxobutanethioate 
• 64771-65-9 Methylhydroperoxyacetat 
• 170166-51-5 1,1-Bis-benzotriazol-1-yl-1-methoxy-3,3-dimethyl-butan-2-one 
• 75-97-8 3,3-dimethyl-butan-2-one 
• 67-56-1 methanol 

Downstream Products

• 815-24-7 Di-t-butyl ketone 
• 3850-31-5 methyl tert-leucinate 
• 107-46-0 Hexamethyldisiloxane 
• 122889-17-2 3,3-Dimethyl-2-[(Z)-trimethylsilanyl-imino]-butyric acid methyl ester 
• 33509-43-2 4-amino-6-tert-butyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine 
• 130231-69-5 2,5-bis<2-(1-carbomethoxy-2,2-dimethylpropylidene)hydrazino>-1,3,4-thiadiazole 
• 98066-43-4 5-tert-Butyl-5-hydroxy-2-phenyl-hexa-2,3-dienedioic acid dimethyl ester 

Relevant academic research and scientific papers

ESR Studies on Carboxylic Esters. Part 13 - Electron Spin Resonance Spectroscopy and Molecular Orbital Calculations on the Radical Anions of 2-Oxo-carbothioate and 2-Oxo-carbodithioate Esters

Radical anions of alkyl α-oxocarbothioates and α-oxocarbodithioates are generated by in situ electroreduction.Their spin density distribution and configuration are discussed in terms of the ESR spectra and semi-empirical (McLachan-type and AM1) MO calculations. - Keywords: ESR α-Oxo-catbothioates α-Oxo-carbodithioates Radical anions MO calculations

A β-Carbon elimination strategy for convenient: In situ access to cyclopentadienyl metal complexes

The electronic and steric properties of tailored cyclopentadienyl (Cp) ligands are powerful handles to modulate the catalytic properties of their metal complexes. This requires the individual preparation, purification and storage of each ligand/metal combination. Alternative, ideally in situ, complexation protocols would be of high utility. We disclose a new approach to access Cp metal complexes. Common metal precursors rapidly react with cyclopentadienyl carbinols via β-carbon eliminations to directly give the Cp-metal complexes. An advantage of this is the direct and flexible use of storable pre-ligands. No auxiliary base is required and the Cp complexes can be prepared in situ in the reaction vessel for subsequent catalytic transformations.

Remarkably Facile Solvolyses of Triflates via Carbocationic Processes in Dimethyl Sulfoxide

A number of triflates have been shown to undergo clean pseudo-first-order solvolysis reactions in DMSO-d6 to give products derived from carbocationic intermediates. Thus, t-BuCH(OTf)CO-t-Bu (5) and t-BuCH 2OTf (9) react readily in DMSO-d6 at 25 °C to give a rearranged oxosulfonium salts, and subsequent alkene products where methyl migration to the incipient cationic center occurs. t-BuCH(OTf)CO 2CH3 (14) gives analogous rearranged products, and 1-methylcyclopropyl triflate (21) gives a ring-opened allylic oxosulfonium salt. These triflates react primarily via kΔ pathways. 6-Methylbicyclo[3.1.0]hex-6-yl triflate (23), bicyclo[2.2.1hept-1-yl triflate (24), 1,6-methano[10]-annulen-11-yl triflate (25), (CH3) 2C(OTf)CO2CH3 (26), and (CH3) 2CCN(OTf) (29) all react in DMSO-d6 to give carbocation-derived products. PhCH(OTf)CF3 (33) and substituted analogues also react readily in DMSO-d6, and the Hammett ρ + value is -3.7. This suggests a "borderline" mechanism where the transition state has substantial charge development. The primary feature of these solvolyses is the high reactivity of all of these triflates in DMSO-d6. Thus, these triflates are all more reactive in DMSO-d 6 than in HOAc, and for most, rates are faster than in CF 3CH2OH. Triflates 5, 21, 29, and 33 are 10 8-109 times more reactive in DMSO-d6 than the corresponding mesylates. It is suggested that the decreased need for electrophilic solvation of trifiate anion, and the high cation solvating ability of DMSO, are the reasons for the high triflate reactivity in DMSO-d 6.

Asymmetric synthesis with the enzyme Coprinus peroxidase: Kinetic resolution of chiral hydroperoxides and enantioselective sulfoxidation

The enzyme Coprinus peroxidase (CiP) was employed for the kinetic resolution of racemic hydroperoxides 1 and the asymmetric sulfoxidation of prochiral sulfides 4. Eleven hydroperoxides 1a-k were reduced by CiP and guaiacol as reductant under conditions of kinetic resolution with enantioselectivities of up to >98% for the (S)-hydroperoxide 1 and 90% for the (R)-alcohol 2. In the absence of a reductant, the hydroperoxide 1a afforded with CiP enantiomerically enriched hydroperoxide la (ee up to 54%) and alcohol 2a (ee up to 40%), as well as ketone 3a (which is also formed simultaneously in all other reactions) and molecular oxygen. Catalase activity was established for CiP with hydrogen peroxide. When aryl alkyl sulfides 4 were used as oxygen acceptors, three products, sulfoxides 5, alcohols 2, and hydroperoxides 1, were obtained, all in enantiomerically enriched form. The highest ee value (89%) was achieved for the sulfoxide derived from naphthyl methyl sulfide (4f). Thus, CiP may be utilized for the asymmetric synthesis of optically active hydroperoxides 1, alcohols 2, and sulfoxides 5.