Name: iso-Valeraldehyde-[d2]
Brand: BOC Sciences
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General Information

Catalog: BLP-005824

CAS: 1394230-44-4

Molecular Formula: C5H8D2O

Molecular Weight: 88.14

Chemical Structure

Description	iso-Valeraldehyde-[d2] is the labelled derivative of iso-Valeraldehyde, a flavor and aroma compound found in many species. It is identified to be aroma-active component that contributes to the distinct malty flavor of buckwheat honey. It can also be used for the synthesis of 4-substituted pyrrolo[2,3-c]quinolines, having anti-tubercular activity.
Synonyms	3-Methylbutanal-D2; 3-Methylbutyraldehyde-D2; Isovaleraldehyde-D2; 3-Methyl-1-butanal-D2; 3-Methylbutanal-D2; 3-Methylbutyraldehyde-D2; Isoamylaldehyde-D2; Isopentanal-D2; Isovaleral-D2; Isovaleric Aldehyde-D2; β-Methylbutanal-D2
IUPAC Name	3,4-dideuterio-3-methylbutanal
Related CAS	590-86-3 (unlabelled)
Canonical SMILES	CC(C)CC=O
InChI	InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3/i1D,5D
InChI Key	YGHRJJRRZDOVPD-WQPYEJCJSA-N
Storage	Store at -20°C

iso-Valeraldehyde-[d2] is a deuterated aldehyde compound often used in various scientific and industrial fields for its unique properties. Here are some key applications of iso-Valeraldehyde-[d2]:

Stable Isotope Labeling: iso-Valeraldehyde-[d2] is utilized in stable isotope labeling for mass spectrometry studies. Its incorporation into molecules allows researchers to track metabolic pathways and compound distribution within biological systems. This technique provides precise quantitative and qualitative data for biochemical and pharmacological research.

NMR Spectroscopy: In nuclear magnetic resonance (NMR) spectroscopy, iso-Valeraldehyde-[d2] is used as a standard or reference compound. The deuterium atoms provide distinct shifts in NMR spectra, aiding in the structural elucidation of organic compounds. This application is crucial for identifying molecular conformations and interactions.

Chemical Synthesis: iso-Valeraldehyde-[d2] can be employed as a starting material or intermediate in the synthesis of deuterated compounds. These synthesized compounds are valuable in studying reaction mechanisms and kinetic isotope effects in organic chemistry. Deuterated chemicals have unique properties that make them useful for various scientific investigations and applications.

Pharmaceutical Research: In drug development, iso-Valeraldehyde-[d2] serves as a tool for understanding the pharmacokinetics and dynamics of potential drug candidates. By labeling drugs with deuterium, researchers can better understand metabolic stability and drug breakdown pathways. This information is critical for optimizing drug formulations and improving therapeutic efficacy.