33500-15-1

Usage

Uses

Used in Research and Development:
TERT-BUTANOL-1,1,1-D3 is used as a research compound for [application reason] in the field of [application industry]. The deuterium labeling in TERT-BUTANOL-1,1,1-D3 allows for enhanced detection and tracking of the molecule in various experimental setups, making it a valuable tool for studying chemical reactions, metabolic pathways, and other biological processes.

Upstream product

• 1111-88-2 Trideutero-methylbromid 
• 67-64-1 acetone 
• 865-50-9 iodomethane-d3 
• 811-98-3 d⁽⁴⁾-methanol 

Downstream Products

• 34557-54-5 methane 
• 676-49-3 Monodeuteromethan 
• 676-80-2 methane-d3 
• 24262-31-5 acetone enolate ion 
• 56247-37-1 (2,2,2-trideuterio-1,1-dimethyl-ethyl)-benzene 

Relevant academic research and scientific papers

A stable isotope labeled β receptor agonist synthetic method of compound

The invention relates to a synthesis method of a stable isotope-labeled beta receptor agonist type compound. The synthesis method comprises the following steps: (1) by taking stable isotope-labeled methanol as a raw material, reacting with acetone or stable isotope-labeled acetone, and ammonifying to obtain stable isotope-labeled tert-butylamine; and (2) by taking a bromoketone type compound as a precursor of the beta receptor agonist type compound, reacting with stable isotope-labeled tert-butylamine to prepare the stable isotope-labeled beta receptor agonist type compound. Compared with the prior art, the method for preparing the stable isotope-labeled beta receptor agonist, provided by the invention, is simple, safe and reliable, the chemical purity of the product after separation and purification is above 99.0%, the isotopic abundance is above 98.0% atom, and the product can fully meet the requirements of residual detection in the field of food safety.

A Stepwise Mechanism for Gas-Phase Unimolecular Ion Decompositions. Isotope Effects in the Fragmentation of tert-Butoxide Anion

Infrared multiple photon (IRMP) photochemical activation of gas-phase ions trapped in an cyclotron resonance (ICR) spectrometer has been used to the mechanism of a gas-phase negative ion unimolecular decomposition.Upon irradiation with a CO2 laser (both high-power pulsed and low-power continous wave (CW)), tert-butoxide anion, trapped in a pulsed ICR spectrometer, decomposes to yield acetone enolate anion and methane.The mechanism of this formal 1,2-elimination reaction was probed by measuring hydrogen isotope effects (both primary and secondary) in the IR laser photolysis of 2-methyl-2-propoxide-1,1,1-d3 (1) and 2-methyl-2-propoxide-1,1,1,3,3,3-d6 (2) anions.Unusually large secondary isotope effects (pulsed laser, 1.9 for 1 and 1.7 for 2; cw laser, 8 for 1) and small primary isotope effects (pulsed laser, 1.6 for 1 and 2; cw laser, 2.0 for 1) were observed.These isotope effects, particularly the large difference in energy dependence of the primary and secondary effects, are consistent only with a stepwise mechanism involving initial bond cleavage to an intermediate ion-molecule complex followed by a hydrogen transfer within the intermediate complex.The observed secondary isotope effects have been modelled by using statistical reaction rate (RRKM) theory.The implications of this study for several previously reported unimolecular ion decompositions are also discussed.

Elimination of Molecular Hydrogen and Methane from Collision-Activated Alkoxide Negative Ions in the Gas Phase. An ab initio and Isotope Effect Study

Ab initio calculations indicate that the collisional induced losses of molecular hydrogen from the ethoxide negative ion and methane from the t-butoxide negative ion to be stepwise processes in which the key intermediates are -...MeCHO> and -...Me2CO> respectively.Deuterium kinetic isotope effects observed for these and other alkoxide negative ions are in accord with the operation of a stepwise reaction.