Cas no 1003043-55-7 ((2-Ethoxypyrimidin-5-yl)boronic acid)

(2-Ethoxypyrimidin-5-yl)boronic acid is a boronic acid derivative featuring a pyrimidine core substituted with an ethoxy group at the 2-position. This compound is widely utilized as a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex biaryl and heteroaryl structures. Its boronic acid moiety ensures efficient transmetalation with palladium catalysts, while the ethoxy group enhances stability and solubility in organic solvents. The product is particularly valuable in pharmaceutical and agrochemical research for constructing pyrimidine-based scaffolds. High purity and consistent reactivity make it a reliable choice for precision synthesis. Proper handling under inert conditions is recommended to preserve its stability.
(2-Ethoxypyrimidin-5-yl)boronic acid structure
1003043-55-7 structure
Product Name:(2-Ethoxypyrimidin-5-yl)boronic acid
CAS No:1003043-55-7
MF:C6H9BN2O3
MW:167.95826125145
MDL:MFCD07375134
CID:827704
PubChem ID:329826500
Update Time:2025-05-27

(2-Ethoxypyrimidin-5-yl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-Ethoxypyrimidin-5-yl)boronic acid
    • 2-Ethoxypyrimidine-5-boronic acid
    • 5-Borono-2-ethoxypyrimidine, 5-Borono-2-ethoxy-1,3-diazine
    • 2-ethoxypyrimidin-5-ylboronic acid
    • VTPBKJXRYUDPAJ-UHFFFAOYSA-N
    • 2-ethoxy-pyrimidine-5-boronic acid
    • FCH921486
    • HP21793
    • AM86193
    • RP08833
    • OR15522
    • E2621G1
    • AB41252
    • SY039525
    • ST2402206
    • AX8023594
    • X1483
    • A19509
    • 2
    • 2-Ethoxypyrimidine-5-Boronicacid
    • AC-31006
    • C6H9BN2O3
    • DTXSID50586046
    • SCHEMBL2067186
    • DS-17536
    • 2-ethoxypyrimidine-5-boronic acid, AldrichCPR
    • MFCD07375134
    • 1003043-55-7
    • AKOS006344726
    • (2-Ethoxypyrimidin-5-yl)boronicacid
    • DB-058345
    • O10047
    • BORONIC ACID, B-(2-ETHOXY-5-PYRIMIDINYL)-
    • EN300-7383926
    • J-509313
    • CS-0097282
    • MDL: MFCD07375134
    • Inchi: 1S/C6H9BN2O3/c1-2-12-6-8-3-5(4-9-6)7(10)11/h3-4,10-11H,2H2,1H3
    • InChI Key: VTPBKJXRYUDPAJ-UHFFFAOYSA-N
    • SMILES: O(C1N=CC(B(O)O)=CN=1)CC

Computed Properties

  • Exact Mass: 168.07100
  • Monoisotopic Mass: 168.0706223g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 128
  • 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: 75.5

Experimental Properties

  • Density: 1.27±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (24 g/l) (25 o C),
  • PSA: 75.47000
  • LogP: -1.44490

(2-Ethoxypyrimidin-5-yl)boronic acid Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Category Code: R22
  • Hazardous Material Identification: Xn

(2-Ethoxypyrimidin-5-yl)boronic acid Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on (2-Ethoxypyrimidin-5-yl)boronic acid

Comprehensive Overview of (2-Ethoxypyrimidin-5-yl)boronic acid (CAS No. 1003043-55-7) and Its Applications

(2-Ethoxypyrimidin-5-yl)boronic acid (CAS No. 1003043-55-7) is a specialized boronic acid derivative that has garnered significant attention in the fields of organic synthesis, pharmaceuticals, and materials science. This compound, characterized by its pyrimidine core and ethoxy substituent, serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, a widely utilized method for forming carbon-carbon bonds. Its unique structural features make it invaluable for designing advanced small-molecule drugs and functional materials.

The growing interest in boronic acid derivatives like (2-Ethoxypyrimidin-5-yl)boronic acid stems from their role in drug discovery and medicinal chemistry. Researchers are increasingly exploring its potential in targeting kinase inhibitors and cancer therapeutics, aligning with the current focus on precision medicine. Additionally, its applications extend to agrochemicals and OLED materials, addressing trends in sustainable agriculture and energy-efficient technologies.

One of the most searched questions about this compound revolves around its synthetic routes and purity standards. High-purity (2-Ethoxypyrimidin-5-yl)boronic acid is critical for ensuring reproducibility in catalytic reactions, a topic frequently discussed in academic forums and industrial R&D circles. Users also inquire about its storage conditions and handling protocols, emphasizing the need for stability under inert atmospheres to prevent decomposition.

From an SEO perspective, keywords such as "buy (2-Ethoxypyrimidin-5-yl)boronic acid," "CAS 1003043-55-7 supplier," and "boronic acid cross-coupling" are highly relevant. These terms reflect the demand from pharmaceutical manufacturers and research laboratories seeking reliable sources of this compound. Furthermore, the integration of AI-driven drug design has amplified interest in heterocyclic boronic acids, positioning this compound as a key player in computational chemistry workflows.

In summary, (2-Ethoxypyrimidin-5-yl)boronic acid (CAS No. 1003043-55-7) exemplifies the intersection of chemical innovation and industrial application. Its adaptability in catalysis, drug development, and material science ensures its continued relevance in both academic and commercial sectors. As research progresses, this compound is poised to contribute to breakthroughs in green chemistry and personalized healthcare, meeting the evolving needs of modern science.

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