Cas no 1204580-86-8 (2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2dioxaborolane)

2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a boronic ester derivative commonly employed as an intermediate in Suzuki-Miyaura cross-coupling reactions. Its cyclobutylmethoxy and methoxy substituents enhance steric and electronic properties, facilitating selective coupling reactions in complex synthetic pathways. The tetramethyl dioxaborolane moiety provides stability, improving handling and storage compared to boronic acids. This compound is particularly useful in pharmaceutical and agrochemical research, where precise functionalization of aromatic systems is required. Its well-defined structure ensures consistent reactivity, making it a reliable choice for constructing biaryl frameworks under mild conditions.
2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2dioxaborolane structure
1204580-86-8 structure
Product Name:2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2dioxaborolane
CAS No:1204580-86-8
MF:C18H27BO4
MW:318.215585947037
MDL:MFCD13152004
CID:1078628
PubChem ID:56923634
Update Time:2025-05-30

2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2dioxaborolane Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclobutylmethoxy-6-methoxyphenylboronic acid pinacol ester
    • 2-[2-(cyclobutylmethoxy)-6-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 2-(2-(Cyclobutylmethoxy)-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • DTXSID20718751
    • CS-0173888
    • 2-(Cyclobutylmethoxy)-6-methoxyphenylboronic Acid Pinacol Ester
    • SY318840
    • C18H27BO4
    • 2-Cyclobutylmethoxy-6-methoxyphenylboronic acid pinacol ester, AldrichCPR
    • AKOS015950425
    • 2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • MFCD13152004
    • 1204580-86-8
    • J-509235
    • 2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
    • 2-Cyclobutylmethoxy-6-methoxyphenylboronicacid pinacol ester
    • 2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2dioxaborolane
    • MDL: MFCD13152004
    • Inchi: 1S/C18H27BO4/c1-17(2)18(3,4)23-19(22-17)16-14(20-5)10-7-11-15(16)21-12-13-8-6-9-13/h7,10-11,13H,6,8-9,12H2,1-5H3
    • InChI Key: DWMOBGHHUVYDIW-UHFFFAOYSA-N
    • SMILES: O1B(C2=C(C=CC=C2OCC2CCC2)OC)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 318.20000
  • Monoisotopic Mass: 318.2002395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 392
  • 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
  • Topological Polar Surface Area: 36.9?2

Experimental Properties

  • PSA: 36.92000
  • LogP: 3.17330

2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2dioxaborolane Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2dioxaborolane Pricemore >>

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Additional information on 2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2dioxaborolane

Comprehensive Overview of 2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 1204580-86-8)

2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 1204580-86-8) is a specialized boronic ester compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of arylboronic esters, which are widely recognized for their utility in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern synthetic chemistry. The unique structural features of this molecule, including the cyclobutylmethoxy and methoxy substituents, make it a valuable intermediate for the synthesis of complex organic molecules.

The CAS No. 1204580-86-8 is particularly notable for its role in the development of novel pharmaceutical agents and agrochemicals. Researchers have explored its potential in creating targeted therapies, especially in the context of cancer treatment and inflammatory diseases. The compound's ability to act as a boron-based building block allows for the efficient construction of biologically active molecules, which is a hot topic in current drug discovery efforts. With the growing demand for precision medicine, compounds like 2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane are becoming increasingly relevant.

From a chemical perspective, the dioxaborolane moiety in this compound is highly stable under various reaction conditions, making it an excellent candidate for multi-step synthetic routes. The tetramethyl groups adjacent to the boron center enhance the compound's solubility in organic solvents, which is a critical factor for its application in industrial-scale synthesis. Additionally, the presence of the cyclobutylmethoxy group introduces steric and electronic effects that can influence the reactivity of the compound in palladium-catalyzed reactions.

In recent years, the scientific community has shown a keen interest in boron-containing compounds due to their diverse applications in material science and medicinal chemistry. The CAS No. 1204580-86-8 is no exception, as it has been investigated for its potential use in organic electronics and light-emitting materials. The compound's ability to form stable boronate complexes with diols and other functional groups has also opened doors for its use in sensing technologies and diagnostic tools.

The market for boronic acid derivatives like 2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is expanding rapidly, driven by the increasing demand for high-performance materials and innovative therapeutics. Companies specializing in fine chemicals and custom synthesis are actively stocking this compound to meet the needs of research institutions and pharmaceutical developers. Furthermore, the compound's compatibility with green chemistry principles, such as reduced waste and energy efficiency, aligns with the global push for sustainable chemical processes.

For researchers and industry professionals, understanding the synthetic pathways and applications of CAS No. 1204580-86-8 is essential. The compound's versatility makes it a valuable asset in academic research and industrial R&D. Whether you are exploring new catalytic systems or designing next-generation drugs, this boronic ester offers a wealth of opportunities for innovation. As the field of boron chemistry continues to evolve, compounds like 2-(2-Cyclobutylmethoxy-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane will undoubtedly play a pivotal role in shaping the future of science and technology.

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