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[[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane-[d5]

General Information
Catalog: BLP-007882
CAS: 1185169-90-7
Molecular Formula: C15H15D5O3
Molecular Weight: 253.35
Chemical Structure
[[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane-[d5]
Description [[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane-[d5] is the labelled analogue of [[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane, which is an intermediate used in the production of Betaxolol.
Synonyms [[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane-d5; Betaxolol EP Impurity C-d5
IUPAC Name 2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-dideuteriomethyl]-2,3,3-trideuteriooxirane
Related CAS 63659-17-6 (unlabelled)
Canonical SMILES C1CC1COCCC2=CC=C(C=C2)OCC3CO3
InChI InChI=1S/C15H20O3/c1-2-13(1)9-16-8-7-12-3-5-14(6-4-12)17-10-15-11-18-15/h3-6,13,15H,1-2,7-11H2/i10D2,11D2,15D
InChI Key DQRZXLUCRJNWKV-FPQCMJPGSA-N
Purity ≥98%
Solubility Soluble in Chloroform, Dichloromethane
Appearance Colorless Liquid
Storage Store at 2-8°C

[[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane-[d5] is a deuterated compound used in scientific research and development. Here are some key applications of this compound:

Pharmaceutical Research: This deuterated compound is often employed in drug metabolism studies to enhance the understanding of pharmacokinetics. The presence of deuterium can alter the metabolic profile of a drug, providing insights into drug stability and breakdown pathways. This is valuable for developing drugs with improved efficacy and reduced toxicity.

NMR Spectroscopy: In the field of NMR spectroscopy, deuterated compounds like this one are critical for structural elucidation and analysis. The incorporation of deuterium atoms helps in reducing proton-related background signals, leading to clearer and more detailed spectral data. Researchers employ these compounds to study complex molecular structures and interactions.

Chemical Synthesis: This deuterated compound serves as a building block in the synthesis of other complex molecules. In organic chemistry, deuterated intermediates are used to trace reaction mechanisms and pathways. Such studies help chemists understand how reactions proceed and how to optimize conditions for desired outcomes.

Stable Isotope Labeling: In biochemical research, stable isotope labeling with deuterium is a powerful technique for tracing metabolic pathways. This compound can be used to label specific components within a biological system, allowing researchers to follow the movement and transformation of molecules during metabolic processes. This approach facilitates detailed exploration of metabolic networks and energetics.

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