Cas no 1073353-72-6 (1,3-Bis(4-boronophenyl)urea Bispinacol Ester)

1,3-Bis(4-boronophenyl)urea Bispinacol Ester is a boronic acid derivative featuring a urea core flanked by two phenylboronic acid pinacol ester groups. This compound is notable for its stability under ambient conditions, facilitated by the pinacol ester protection of the boronic acid moieties, which prevents unwanted hydrolysis. The urea linkage enhances structural rigidity and potential hydrogen-bonding interactions, making it useful in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its design allows for controlled deprotection and reactivity, offering versatility in constructing complex molecular architectures. The compound is particularly valued for its compatibility with sensitive functional groups and its role in facilitating efficient boron-based transformations.
1,3-Bis(4-boronophenyl)urea Bispinacol Ester structure
1073353-72-6 structure
Product Name:1,3-Bis(4-boronophenyl)urea Bispinacol Ester
CAS No:1073353-72-6
MF:C25H34B2N2O5
MW:464.169867038727
MDL:MFCD09972179
CID:856378
PubChem ID:46738743
Update Time:2025-06-15

1,3-Bis(4-boronophenyl)urea Bispinacol Ester Chemical and Physical Properties

Names and Identifiers

    • 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
    • 1,3-Bis(4-boronophenyl)urea, bispinacol ester
    • 1,3-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
    • 1073353-72-6
    • N,N'-Bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
    • 1,3-BIS(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
    • AKOS025293546
    • D93348
    • BS-26145
    • DTXSID90674395
    • MFCD09972179
    • J-001806
    • 1,3-Bis(4-boronophenyl)urea Bispinacol Ester
    • MDL： MFCD09972179
    • Inchi： 1S/C25H34B2N2O5/c1-22(2)23(3,4)32-26(31-22)17-9-13-19(14-10-17)28-21(30)29-20-15-11-18(12-16-20)27-33-24(5,6)25(7,8)34-27/h9-16H,1-8H3,(H2,28,29,30)
    • InChI Key： YZMSEEZRDRFBJI-UHFFFAOYSA-N
    • SMILES： O1B(C2C=CC(=CC=2)NC(NC2C=CC(B3OC(C)(C)C(C)(C)O3)=CC=2)=O)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 478.28100
  • Monoisotopic Mass: 464.2653825g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 7
  • Complexity: 652
  • 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: 78?2

Experimental Properties

  • PSA: 78.05000
  • LogP: 4.07060

1,3-Bis(4-boronophenyl)urea Bispinacol Ester Pricemore >>

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SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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1,3-Bis(4-boronophenyl)urea Bispinacol Ester Related Literature

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Additional information on 1,3-Bis(4-boronophenyl)urea Bispinacol Ester

Comprehensive Overview of 1,3-Bis(4-boronophenyl)urea Bispinacol Ester (CAS No. 1073353-72-6)

1,3-Bis(4-boronophenyl)urea Bispinacol Ester, with the CAS registry number 1073353-72-6, is a specialized boron-containing compound that has garnered significant attention in the fields of organic synthesis, materials science, and pharmaceutical research. This compound, often abbreviated as BBU-BPE, is recognized for its unique structural properties, which include two boronic ester functionalities attached to a urea backbone. Such features make it a versatile intermediate for cross-coupling reactions, sensor development, and drug discovery applications.

The growing interest in boron-based compounds like 1,3-Bis(4-boronophenyl)urea Bispinacol Ester stems from their ability to form stable covalent bonds with diols and other nucleophiles, a property exploited in Suzuki-Miyaura coupling reactions. Researchers and industries are increasingly exploring its potential in creating advanced materials, such as organic light-emitting diodes (OLEDs) and biocompatible polymers. Moreover, its role in proteolysis-targeting chimeras (PROTACs) has sparked discussions in medicinal chemistry, aligning with the current trend of targeted protein degradation therapies.

One of the most frequently asked questions about CAS No. 1073353-72-6 revolves around its synthetic accessibility and stability. The compound’s bispinacol ester groups enhance its solubility in organic solvents, simplifying purification and handling—a critical factor for laboratory-scale and industrial applications. Recent studies highlight its utility as a fluorescent probe for detecting saccharides, leveraging the boronic acid-diol interaction mechanism. This aligns with the rising demand for non-invasive glucose monitoring technologies, a hot topic in healthcare innovation.

From an environmental perspective, 1,3-Bis(4-boronophenyl)urea Bispinacol Ester is also being investigated for its potential in green chemistry initiatives. Its compatibility with water-tolerant reaction conditions and minimal byproduct generation makes it a candidate for sustainable synthetic routes. Additionally, its application in metal-organic frameworks (MOFs) design has been explored, addressing the need for porous materials in gas storage and separation technologies.

In summary, 1,3-Bis(4-boronophenyl)urea Bispinacol Ester (CAS 1073353-72-6) represents a multifaceted compound with broad applicability across cutting-edge scientific domains. Its integration into drug discovery pipelines, advanced material synthesis, and environmentally friendly processes underscores its relevance in contemporary research. As interest in boron chemistry continues to surge, this compound is poised to play a pivotal role in addressing challenges in energy, healthcare, and sustainability.

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