Cas no 1185020-84-1 (Benzyl 4-(Bromophenyl)-ether-d4)

Benzyl 4-(Bromophenyl)-ether-d4 is a deuterated analog of benzyl 4-bromophenyl ether, where four hydrogen atoms are replaced with deuterium. This isotopic labeling enhances the compound's utility in mass spectrometry and NMR studies, providing improved signal resolution and reduced interference in analytical applications. The bromophenyl ether moiety offers functional versatility for further synthetic modifications, making it valuable in pharmaceutical and chemical research. Its deuterium incorporation ensures stability in metabolic and kinetic studies, facilitating precise tracking in mechanistic investigations. The compound is particularly useful in isotope dilution assays and as an internal standard for quantitative analysis, ensuring accuracy in complex matrices.
Benzyl 4-(Bromophenyl)-ether-d4 structure
1185020-84-1 structure
Product Name:Benzyl 4-(Bromophenyl)-ether-d4
CAS No:1185020-84-1
MF:C13H11BrO
MW:267.15448975563
CID:1066945
Update Time:2025-11-07

Benzyl 4-(Bromophenyl)-ether-d4 Chemical and Physical Properties

Names and Identifiers

    • [2H4]-1-Benzyloxy-4-bromo-benzene
    • Benzyl 4-(Bromophenyl)-ether-d4
    • Inchi: 1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2/i6D,7D,8D,9D
    • InChI Key: OUQSGILAXUXMGI-YKVCKAMESA-N
    • SMILES: BrC1C([2H])=C([2H])C(=C([2H])C=1[2H])OCC1C=CC=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 169
  • XLogP3: 4.5
  • Topological Polar Surface Area: 9.2

Benzyl 4-(Bromophenyl)-ether-d4 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
B874731-100mg
Benzyl 4-(Bromophenyl)-ether-d4
1185020-84-1 ≥98 atom % D
100mg
¥2,308.00 2022-09-02
TRC
B233397-10mg
Benzyl 4-(Bromophenyl)-ether-d4
1185020-84-1
10mg
$ 173.00 2023-04-18
TRC
B233397-100mg
Benzyl 4-(Bromophenyl)-ether-d4
1185020-84-1
100mg
$ 1326.00 2023-04-18

Additional information on Benzyl 4-(Bromophenyl)-ether-d4

Comprehensive Analysis of Benzyl 4-(Bromophenyl)-ether-d4 (CAS No. 1185020-84-1): Applications and Research Insights

In the realm of deuterated compounds, Benzyl 4-(Bromophenyl)-ether-d4 (CAS No. 1185020-84-1) has garnered significant attention due to its unique structural properties and versatile applications in pharmaceutical research, material science, and analytical chemistry. This deuterium-labeled analog of benzyl 4-(bromophenyl) ether is particularly valued for its role in isotope labeling studies, mass spectrometry, and nuclear magnetic resonance (NMR) spectroscopy. Its incorporation of deuterium atoms enhances molecular stability and reduces background interference, making it indispensable for drug metabolism research and environmental tracer studies.

The growing demand for deuterated compounds like Benzyl 4-(Bromophenyl)-ether-d4 is driven by advancements in precision medicine and the need for highly sensitive detection methods. Researchers frequently inquire about its synthesis pathways, purity standards, and compatibility with LC-MS (liquid chromatography-mass spectrometry) systems. A trending topic in forums and academic discussions revolves around optimizing deuterium incorporation rates to minimize isotopic effects while maximizing analytical performance. This aligns with the broader industry shift toward sustainable chemistry, where deuterated reagents reduce waste and improve reaction efficiency.

From a structural perspective, Benzyl 4-(Bromophenyl)-ether-d4 features a bromine substituent at the para-position of the phenyl ring, which facilitates cross-coupling reactions in organic synthesis. Its deuterated benzyl group (-CD2-) is a critical feature for kinetic isotope effect (KIE) studies, a hot topic in mechanistic chemistry. Recent publications highlight its utility in probing reaction mechanisms involving C-H bond activation, a frontier area in catalysis. These applications resonate with search trends focusing on "deuterated building blocks for drug discovery" and "isotopic labeling techniques."

Quality control and storage conditions for CAS No. 1185020-84-1 are frequently searched topics among laboratory professionals. Best practices recommend storing the compound at 2–8°C under inert gas to prevent degradation. Analytical certificates often emphasize ≥98% isotopic purity, a key parameter for reproducibility in quantitative bioanalysis. The compound’s compatibility with Palladium-catalyzed reactions also makes it relevant to discussions on green chemistry, where researchers explore solvent-free or low-waste synthetic routes.

Emerging trends in personalized therapeutics have further amplified interest in Benzyl 4-(Bromophenyl)-ether-d4. For instance, its use in proteomics to track protein-ligand interactions aligns with the rise of AI-driven drug design. Search engine data reveals queries like "deuterated ethers in PET imaging" and "stable isotopes for metabolic flux analysis," reflecting interdisciplinary applications. Additionally, the compound’s role in environmental fate studies—addressing questions about persistent organic pollutants (POPs)—demonstrates its societal relevance beyond the lab.

In summary, Benzyl 4-(Bromophenyl)-ether-d4 exemplifies the convergence of cutting-edge research and industrial demand for specialized deuterated chemicals. Its multifaceted applications, from pharmaceutical development to environmental science, underscore its importance in modern chemistry. As search trends evolve toward "deuterium in drug development" and "isotopic labeling best practices," this compound remains a focal point for innovation and methodological refinement.

Recommended suppliers
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.