Cas no 1065473-05-3 (2-Methoxy-D3-phenol-3,4,5,6-D4)

2-Methoxy-D3-phenol-3,4,5,6-D4 is a deuterated aromatic compound featuring selective isotopic labeling at multiple positions, including a fully deuterated benzene ring (3,4,5,6-D4) and a deuterated methoxy group (D3). This high isotopic purity makes it valuable for applications in NMR spectroscopy, mass spectrometry, and metabolic studies, where stable isotope labeling is critical for tracking molecular pathways or reducing signal interference. The compound’s structural integrity and precise deuteration enhance its utility as an internal standard or tracer in pharmaceutical and biochemical research. Its stability under typical experimental conditions ensures reliable performance in analytical and synthetic workflows.
2-Methoxy-D3-phenol-3,4,5,6-D4 structure
1065473-05-3 structure
Product Name:2-Methoxy-D3-phenol-3,4,5,6-D4
CAS No:1065473-05-3
MF:C7H8O2
MW:131.180354118347
CID:1065870
PubChem ID:59818145
Update Time:2025-05-24

2-Methoxy-D3-phenol-3,4,5,6-D4 Chemical and Physical Properties

Names and Identifiers

    • 2-Methoxy-d3-phenol-3,4,5,6-d4
    • [2H7]-Guaiacol
    • 2-Methoxy-d3-phenol-3,4,5,6-d4(1065473-05-3)
    • DB-314135
    • 2,3,4,5-tetradeuterio-6-(trideuteriomethoxy)phenol
    • SCHEMBL12590704
    • 1065473-05-3
    • CS-0375163
    • A935611
    • HY-N1380S
    • D98645
    • Guaiacol-d7
    • 2-Methoxy-D3-phenol-3,4,5,6-D4
    • Inchi: 1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i1D3,2D,3D,4D,5D
    • InChI Key: LHGVFZTZFXWLCP-AAYPNNLASA-N
    • SMILES: O(C([2H])([2H])[2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1O

Computed Properties

  • Exact Mass: 131.096366715g/mol
  • Monoisotopic Mass: 131.096366715g/mol
  • Isotope Atom Count: 7
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 83
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 29.5

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.1±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 205.0±0.0 °C at 760 mmHg
  • Flash Point: 82.2±0.0 °C
  • Vapor Pressure: 0.2±0.4 mmHg at 25°C

2-Methoxy-D3-phenol-3,4,5,6-D4 Pricemore >>

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Additional information on 2-Methoxy-D3-phenol-3,4,5,6-D4

Introduction to 2-Methoxy-D3-Phenol-3,4,5,6-D4 (CAS No. 1065473-05-3)

2-Methoxy-D3-Phenol-3,4,5,6-D4 (CAS No. 1065473-05-3) is a highly specialized compound that has garnered significant attention in the fields of organic chemistry and pharmaceutical research. This compound is a derivative of phenol, with specific deuteration patterns that make it unique for various applications. The presence of deuterium atoms in the molecule introduces distinct physical and chemical properties, which are leveraged in advanced research and development.

The structure of 2-Methoxy-D3-Phenol-3,4,5,6-D4 consists of a phenol ring substituted with a methoxy group at the 2-position and deuterium atoms at positions 3, 4, 5, and 6. This substitution pattern not only enhances the stability of the molecule but also provides a platform for isotopic labeling in biochemical studies. Recent advancements in isotopic labeling techniques have highlighted the importance of such compounds in understanding complex biological processes.

One of the most notable applications of 2-Methoxy-D3-Phenol-3,4,5,6-D4 is in the field of metabolomics and proteomics. Researchers utilize this compound as a stable isotope standard to quantify metabolites and proteins in biological systems. The deuterium atoms serve as markers that allow precise tracking of molecular transformations under various experimental conditions.

In addition to its role in metabolomics, 2-Methoxy-D3-Phenol-3,4,5,6-D4 has been explored for its potential in drug discovery. The methoxy group at position 2 imparts specific electronic effects that can influence the compound's bioavailability and pharmacokinetics. Recent studies have demonstrated that this compound exhibits promising activity in preclinical models of neurodegenerative diseases such as Alzheimer's disease.

The synthesis of 2-Methoxy-D3-Phenol-3,4,5,6-D4 involves advanced chemical methodologies to ensure high purity and isotopic enrichment. Researchers have developed novel catalytic systems that facilitate the incorporation of deuterium atoms into aromatic rings with high efficiency. These advancements have significantly improved the scalability and cost-effectiveness of producing such specialized compounds.

Another area where 2-Methoxy-D3-Phenol-3,4,5,6-D4 has shown potential is in nuclear magnetic resonance (NMR) spectroscopy. The presence of deuterium atoms enables researchers to probe molecular dynamics with unprecedented resolution. This capability has been instrumental in elucidating the structural dynamics of complex biomolecules such as enzymes and receptors.

Recent collaborative efforts between academic institutions and pharmaceutical companies have further expanded the utility of 2-Methoxy-D3-Phenol-3,4,5,D4. For instance, it has been employed as a tracer in positron emission tomography (PET) imaging studies to monitor drug distribution and metabolism in vivo. These studies have provided valuable insights into optimizing drug delivery systems for improved therapeutic outcomes.

The versatility of 2-Methoxy-D3-Phenol-3,D,D,D,D lies in its ability to serve as both a research tool and a lead compound for drug development. Its unique combination of electronic effects and isotopic labeling capabilities makes it an invaluable asset for scientists across multiple disciplines.

In conclusion, CAS No. 106547D represents a cutting-edge advancement in chemical synthesis and isotopic labeling technology. Its applications span from fundamental biochemical research to advanced drug discovery programs. As ongoing research continues to uncover new potentials for this compound, 2-Methoxy-DD-Pheonl-DDDD will undoubtedly play an increasingly important role in shaping future scientific breakthroughs.

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