101419-75-4

Usage

Uses

Used in Pharmaceutical Industry:
2,2-Dimethylbutanoic Acid-d6 is used as a potential treatment for thalassemia and hemoglobinopathies due to its unique chemical properties and deuterated nature. It offers a promising avenue for the development of novel therapeutic approaches to these genetic blood disorders.
Used in Scientific Research:
As a deuterated compound, 2,2-Dimethylbutanoic Acid-d6 is used as a stable isotope-labeled compound in various research applications. It can be employed in the study of metabolic pathways, reaction mechanisms, and the development of new drugs or drug candidates, providing valuable insights into the behavior of similar non-deuterated compounds.
Used in Chemical Analysis:
The deuterated nature of 2,2-Dimethylbutanoic Acid-d6 also makes it a valuable tool in chemical analysis, particularly in techniques such as nuclear magnetic resonance (NMR) spectroscopy. It can be used to enhance the resolution and sensitivity of NMR signals, allowing for more accurate identification and quantification of compounds in complex mixtures.

Upstream product

• 89603-08-7 2-chloro-1,1,1-trideuterio-2-trideuteriomethyl-butane 
• 124-38-9 carbon dioxide 
• 75295-95-3 2-(Methyl-d₃)-2-butanol-1,1,1-d₃ 

Downstream Products

• 1335460-29-1 C₃₁H₄₆⁽²⁾H₆O₅Si 
• 1002347-71-8 C₂₅H₃₂⁽²⁾H₆O₅ 
• 98395-56-3 1-bromo-2,2-bis(trideuteriomethyl)butane 
• 101419-74-3 2,2-bis(trideuteriomethyl)butan-1-ol 

Relevant academic research and scientific papers

Synthesis of deuterium-labeled simvastatin

This study describes the synthesis of deuterium-labeled simvastatin. The stable isotope-labeled compound was prepared starting from lovastatin in nine steps with 9% overall yield.

Conformational Analysis and Stereodynamics of Primary Acyclic Alkyl Radicals by EPR Spectroscopy

The EPR spectra of n-alkyl, 2-methylalkyl, 2,2-dimethylalkyl, 2,2,3-trimethylbutyl, and 2,2,3,3-tetramethylbutyl radicals indicate that at 90 K they exist in "rigid" conformations with respect to rotation about the Cβ-Cγ bonds.The preferred conformations about the Cα-Cβ and Cβ-Cγ bonds were deduced by analysis of the β- and γ-H hyperfine splittings (hfs). 2,2,3,3-Tetramethylbutyl radicals, the only radicals with a CH3 group approximately all-trans with respect to the semioccupied p-orbital, were also the only radicals to show resolved δ-hfs.The barriers to internal rotation of the methyl groups in n-propyl, isobutyl, neopentyl, 2,2-bis(trideuteriomethyl)butyl, and 2,2,3,3-tetramethylbutyl radicals were obtained by line shape analysis; the ethyl rotation barrier in 2,2-bis(trideuteriomethyl)butyl and the tert-butyl rotation barrier in 2,2,3,3-tetramethylbutyl radicals were estimated in a similar way.The experimental hfs of trans γ-hydrogens were shown to fit a relationship of the form aHγ = 0.1 +7.9 cos2 Φ, where Φ is the dihedral angle between the SOMO and the plane through Cα, Cβ, and Cγ.Trends in the internal rotation barriers of the alkyl groups were adequately accounted for in terms of steric effects.