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4-Methoxytoluene-[a,a,a-d3]

General Information
Catalog: BLP-010601
CAS: 14202-49-4
Molecular Formula: C8H7D3O
Molecular Weight: 125.18
Chemical Structure
4-Methoxytoluene-[a,a,a-d3]
Description 4-Methoxytoluene-[a,a,a-d3] is the labelled analogue of 4-Methoxytoluene. 4-Methoxytoluene is a building block that has been used as a reactant for the preparation of electrophilic fluorinating agents.
Synonyms 4-Methoxytoluene-a,a,a-D3; Benzene, 1-methoxy-4-(methyl-d3)-; 4-Methoxytoluene-alpha,alpha,alpha-d3; p-Methoxytoluene-d3; 1-Methoxy-4-methylbenzene-d3; 1-Methyl-4-methoxybenzene-d3; 4-Cresol Methyl Ether-d3; 4-Methoxytoluene-d3; 4-Methyl-1-methoxybenzene-d3; 4-Methylanisole-d3; Methyl p-Methylphenyl Ether-d3; Methyl p-Tolyl Ether-d3; NSC 6254-d3; O-Methyl-p-cresol-d3; p-Cresyl Methyl Ether-d3; p-Methylanisole-d3; p-Tolyl Methyl Ether-d3
IUPAC Name 1-methoxy-4-(trideuteriomethyl)benzene
Related CAS 104-93-8 (unlabelled)
Canonical SMILES CC1=CC=C(C=C1)OC
InChI InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3/i1D3
InChI Key CHLICZRVGGXEOD-FIBGUPNXSA-N
Purity ≥98%; ≥98% atom D
Density 0.87 g/cm3
Solubility Soluble in Chloroform, Ethyl Acetate
Appearance Clear Colorless Oily Matter
Storage Store at RT

4-Methoxytoluene-[a,a,a-d3] is a labeled compound often used in scientific research due to its stable isotope composition. Here are some key applications of 4-Methoxytoluene-[a,a,a-d3]:

Tracer Studies in Metabolic Research: 4-Methoxytoluene-[a,a,a-d3] is employed in metabolic studies as a tracer to follow pathways and reaction mechanisms within biological systems. Its deuterium labeling allows researchers to trace and quantify metabolic intermediates accurately. This application is crucial for elucidating complex biochemical pathways and understanding cellular metabolism.

NMR Spectroscopy: The compound is widely used in nuclear magnetic resonance (NMR) spectroscopy as an internal standard or reference. The presence of deuterium in 4-Methoxytoluene-[a,a,a-d3] results in distinct spectral properties, making it an excellent tool for calibration and quantitative analysis. This application enhances the precision and reliability of NMR-based studies in organic chemistry and biochemistry.

Pharmacokinetic Studies: In pharmaceutical research, 4-Methoxytoluene-[a,a,a-d3] can be utilized to study drug absorption, distribution, metabolism, and excretion (ADME) processes. By incorporating this labeled compound into drug formulations, scientists can track the drug's behavior in the body using mass spectrometry. This information is vital for drug development and optimizing therapeutic regimens.

Environmental Studies: This compound is also used in environmental science to study the fate and transport of volatile organic compounds (VOCs) in the environment. The deuterium label allows for the distinguishable tracking of 4-Methoxytoluene-related compounds across different environmental matrices. Such studies contribute to a better understanding of pollutant behavior and aid in developing strategies for environmental remediation.

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