75160-24-6

Basic information

• Product Name: PINACOL-D12
• Synonyms: PINACOL-D12
• CAS NO: 75160-24-6
• Molecular Formula: C6H2D12O2
• Molecular Weight: 130.248101336
• Mol File: 75160-24-6.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• CAS DataBase Reference: PINACOL-D12(CAS DataBase Reference)
• NIST Chemistry Reference: PINACOL-D12(75160-24-6)
• EPA Substance Registry System: PINACOL-D12(75160-24-6)

Safety Data

• Hazardous Substances Data: 75160-24-6(Hazardous Substances Data)

Usage

Description

PINACOL-D12 is a deuterated compound used as an intermediate in the synthesis of isotopically labeled compounds, particularly in the field of chemistry and environmental science. It plays a crucial role in the development of isotopically labeled tebuconazole, which is an essential component in pesticide formulations.

Uses

Used in Pesticide Formulations:
PINACOL-D12 is used as an intermediate in the synthesis of isotopically labeled Tebuconazole (T013002) for [application reason] as an ergosterol biosynthesis inhibitor present in most pesticide formulations. This helps in the development of more effective and targeted pest control solutions.
Used in Environmental Science:
PINACOL-D12 is used as an environmental contaminant in the context of the Drinking Water Contaminant Candidate List 3 (CCL 3) as per the United States Environmental Protection Agency (EPA). It aids in the identification, monitoring, and management of potential contaminants in drinking water sources.
Used in Food Contamination Studies:
PINACOL-D12 is used as a tool in the study of food contaminants, helping researchers understand the behavior and impact of various contaminants in the food supply chain. This contributes to the development of safer food production and processing methods.
Used in Plant Uptake Studies:
PINACOL-D12 is used in the study of plant uptake mechanisms, particularly in the context of isotopically labeled compounds. This helps researchers gain insights into the absorption and distribution of these compounds within plants, which can be useful for optimizing agricultural practices and understanding the environmental impact of certain chemicals.

Upstream product

• 666-52-4 [⁽²⁾H₆]acetone 

Downstream Products

• 42983-07-3 2,2-dimethylpropanoic acid-d₉ 

Relevant articles and documents

A hydrogen-bond flip-flop through a bjerrum-type defect

Back and forth: Femtosecond two-dimensional infrared exchange spectroscopy was used to study the dynamics of the reversal of an intramolecular hydrogen bond. The H-bond reversal resembles a flip-flop motion that is facilitated by two concerted disrotatory torsional isomerizations and that occurs on a time scale of about 2 ps. Copyright

Solid-phase synthesis for novel nerve agent adducted nonapeptides as biomarkers

An efficient synthesis of d5-VX adducted nonapeptide and d15-GD adducted nonapeptide via solid-phase approach has been developed. The deuterated peptides could be used as the isotope-labeled internal standard for LC-MS/MS detecting the BuChE-OPNA biomarkers. This method also offers an access to the synthesis and detection of other phosphorylated nonapeptides.

Solvent-dependent changes in the triazolinedione-alkene ene reaction mechanism

The influence of the solvent on the triazolinedione-alkene ene reaction mechanism has been investigated. Both inter- and intramolecular kinetic isotope effects with tetramethylethylenes and 2,2,2-(trideuterio)methyl-7-methyl-2,6- octadiene-[D3]-1,1,1 provide, for the first time, strong evidence for changes in the mechanism of the reaction on going from non-protic to polar protic solvents. In non-protic polar or apolar solvents, an aziridinium imide that equilibrates to an insignificant extent with an open intermediate (a dipolar or a polarized biradical) is formed irreversibly in the first, rate-determining step of the reaction, which is followed by fast hydrogen abstraction. On the contrary, in polar protic solvents, hydrogen abstraction is rate limiting, allowing the main dipolar intermediate to equilibrate with its open intermediate(s) as well as with the starting reagents.