Cas no 59239-44-0 (Boronic acid,B-(1E)-1-penten-1-yl-)

Boronic acid, B-(1E)-1-penten-1-yl-, is an organoboron compound characterized by its vinyl-substituted boronic acid functional group. This reagent is particularly valuable in Suzuki-Miyaura cross-coupling reactions, where it acts as a key intermediate for the synthesis of complex organic molecules, including pharmaceuticals and agrochemicals. Its (1E)-1-penten-1-yl moiety enhances reactivity in palladium-catalyzed transformations, enabling efficient C-C bond formation. The compound exhibits good stability under standard handling conditions, though storage under inert atmospheres is recommended to prevent degradation. Its precise structure allows for selective coupling, making it a preferred choice for stereocontrolled synthesis. Compatibility with diverse reaction conditions further underscores its utility in advanced organic synthesis.
Boronic acid,B-(1E)-1-penten-1-yl- structure
59239-44-0 structure
Product Name:Boronic acid,B-(1E)-1-penten-1-yl-
CAS No:59239-44-0
MF:C5H11BO2
MW:113.950641870499
MDL:MFCD01074677
CID:367064
PubChem ID:5702651
Update Time:2025-10-25

Boronic acid,B-(1E)-1-penten-1-yl- Chemical and Physical Properties

Names and Identifiers

    • Boronic acid,B-(1E)-1-penten-1-yl-
    • E-PENTEN-1-YLBORONIC ACID
    • E-PENTEN1-YLBORONIC ACID
    • (1E)-(Pent-1-en-1-yl)boronic acid
    • 1-PENTENYLBORONIC ACID
    • (Z)-11-Hexadecen-1-ylacetate
    • (E)-PENT-1-EN-1-YLBORONIC ACID
    • 59239-44-0
    • (E)-PENT-1-EN-1-YLBORONICACID
    • [(1E)-pent-1-en-1-yl]boronic acid
    • trans-(Pent-1-en-1-yl)boronic acid
    • AKOS015836308
    • MFCD01074677
    • 1-Penten-1-ylboronic acid
    • FS-4583
    • (E)-1-penteneboronic acid
    • A800967
    • J-001160
    • trans-1-penten-1-ylboronic acid
    • SYKWJOZHNDPWIM-SNAWJCMRSA-N
    • [(E)-pent-1-enyl]boronic acid
    • pent-1-en-1-ylboronic acid
    • SCHEMBL152496
    • (1e)-1-penten-1-ylboronic acid
    • 104376-24-1
    • CS-0173873
    • AKOS025293529
    • 1-Penten-yl boronic acid
    • E-pent-1-enylboronic acid
    • Boronic acid, (1E)-1-pentenyl-
    • G64866
    • MDL: MFCD01074677
    • Inchi: 1S/C5H11BO2/c1-2-3-4-5-6(7)8/h4-5,7-8H,2-3H2,1H3/b5-4+
    • InChI Key: SYKWJOZHNDPWIM-SNAWJCMRSA-N
    • SMILES: OB(/C=C/CCC)O

Computed Properties

  • Exact Mass: 114.08500
  • Monoisotopic Mass: 114.0852098g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 70.8
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.936
  • Melting Point: 100-105?°C(lit.)
  • Boiling Point: 209.9 °C at 760 mmHg
  • Flash Point: 80.7 °C
  • PSA: 40.46000
  • LogP: 0.35470
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Boronic acid,B-(1E)-1-penten-1-yl- 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%

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Additional information on Boronic acid,B-(1E)-1-penten-1-yl-

Comprehensive Overview of Boronic acid, B-(1E)-1-penten-1-yl- (CAS No. 59239-44-0)

Boronic acid, B-(1E)-1-penten-1-yl- (CAS No. 59239-44-0) is a specialized organoboron compound widely utilized in organic synthesis and pharmaceutical research. This compound belongs to the class of vinylboronic acids, which are pivotal intermediates in cross-coupling reactions such as the Suzuki-Miyaura reaction. Its unique structure, featuring a pentenyl group attached to a boronic acid moiety, makes it a versatile building block for constructing complex molecules.

The growing interest in Boronic acid, B-(1E)-1-penten-1-yl- is driven by its applications in drug discovery and material science. Researchers frequently search for "boronic acid derivatives in medicinal chemistry" or "applications of vinylboronic acids," reflecting its relevance in modern synthetic methodologies. Its role in forming carbon-carbon bonds under mild conditions aligns with the industry's shift toward sustainable and efficient catalytic processes.

One of the key advantages of CAS No. 59239-44-0 is its stability and reactivity balance, making it suitable for palladium-catalyzed reactions. This property is particularly valuable in designing biologically active compounds, where precision and yield are critical. Recent studies highlight its use in synthesizing fluorescent probes and polymeric materials, addressing trends in "smart materials" and "bioimaging tools."

From an industrial perspective, Boronic acid, B-(1E)-1-penten-1-yl- is often discussed alongside "scalable synthetic routes" and "green chemistry." Companies and academic labs seek ways to optimize its production while minimizing environmental impact. Innovations like flow chemistry and catalyst recycling are frequently explored to enhance its accessibility for large-scale applications.

Safety and handling of CAS No. 59239-44-0 are also common topics, with queries such as "storage conditions for boronic acids" or "compatibility with aqueous systems." While the compound is generally stable under inert atmospheres, proper precautions are recommended to prevent degradation. Its compatibility with polar solvents expands its utility in diverse reaction setups.

In summary, Boronic acid, B-(1E)-1-penten-1-yl- (CAS No. 59239-44-0) is a cornerstone in synthetic chemistry, bridging gaps between academia and industry. Its adaptability to emerging technologies and alignment with sustainability goals ensure its continued prominence in research and development. For those exploring "advanced boron reagents" or "next-generation coupling partners," this compound offers a compelling case study in innovation.

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