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1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3]

General Information
Catalog: BLP-007866
CAS: 1217072-99-5
Molecular Formula: C19H18D3N
Molecular Weight: 266.40
Chemical Structure
1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3]
Description 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3] is the labelled analogue of 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene, which is an intermediate in the preparation of Vedaprofen.
Synonyms 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-d3
IUPAC Name 2-(4-cyclohexylnaphthalen-1-yl)-3,3,3-trideuteriopropanenitrile
Isomeric SMILES [2H]C([2H])([2H])C(C#N)C1=CC=C(C2=CC=CC=C21)C3CCCCC3
Canonical SMILES CC(C#N)C1=CC=C(C2=CC=CC=C21)C3CCCCC3
InChI InChI=1S/C19H21N/c1-14(13-20)16-11-12-17(15-7-3-2-4-8-15)19-10-6-5-9-18(16)19/h5-6,9-12,14-15H,2-4,7-8H2,1H3/i1D3
InChI Key HTYSGPGOKDXWFH-FIBGUPNXSA-N
Purity ≥90%
Solubility Soluble in Chloroform, Dichloromethane, Ethyl Acetate
Appearance Oily Matter
Storage Store at -20°C

1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3] is a compound labeled with potential for diverse scientific research applications. Here are key applications of this compound presented with high perplexity and burstiness:

Radiolabeling Studies: Delving into radiolabeling studies, 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3] emerges as a deuterium-labeled compound with the capacity to trace and quantify molecular interactions. Researchers venture into mapping the metabolic pathways of drugs and unraveling their pharmacokinetics and biodistribution within the body. This application proves particularly beneficial in the realm of developing safe and efficacious pharmaceuticals.

Nuclear Magnetic Resonance (NMR) Investigations: Stepping into the realm of NMR investigations, this compound, with its deuterium-labeled hydrogen atoms, becomes a pivotal tool in unraveling molecular structure and dynamics. The presence of deuterium elevates spectral clarity, facilitating intricate analysis of complex molecules. Researchers delve into comprehending the structural conformation and interactions of target molecules with nuanced precision.

Chemical Reaction Mechanism Elucidation: Unveiling the role of 1-Cyanomethyl-2'-methyl-4-cyclohexylnaphthalene-[d3] in elucidating chemical reaction mechanisms, scientists harness its potential in investigating organic chemistry pathways. Deuterium's distinctive slower reactivity compared to hydrogen offers profound insights into kinetic isotope effects, enabling researchers to discern subtle nuances in reaction pathways. This understanding serves as a cornerstone in crafting efficient synthetic routes essential for scientific advancement.

Environmental Tracing: Transitioning to environmental tracing, this labeled compound assumes the role of a tracer in environmental studies, facilitating the tracking of pollutant pathways and evaluation of ecological impacts. Upon introduction into an ecosystem, its unique chemical signature enables precise monitoring of dispersion and degradation, aiding in the formulation of strategies to combat environmental contamination. This data serves as a linchpin in environmental conservation efforts, ensuring sustainable practices for future generations.

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