Cas no 625458-85-7 (2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

2-(4-Butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a boronic ester derivative widely used as an intermediate in Suzuki-Miyaura cross-coupling reactions. Its stable dioxaborolane structure enhances shelf life and handling safety compared to boronic acids. The butylphenyl substituent contributes to improved solubility in organic solvents, facilitating its use in homogeneous reaction conditions. This compound exhibits high reactivity with aryl halides, enabling efficient synthesis of biaryl structures, a key motif in pharmaceuticals and advanced materials. Its crystalline solid form allows for precise weighing and reduced variability in synthetic applications. The product is particularly valued for its consistent purity and reliability in palladium-catalyzed transformations.
2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane structure
625458-85-7 structure
Product Name:2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No:625458-85-7
MF:C16H25BO2
MW:260.179505109787
MDL:MFCD20527105
CID:1069276
PubChem ID:11817803
Update Time:2025-10-17

2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Chemical and Physical Properties

Names and Identifiers

    • 4-Butylphenylboronic acid pinacol ester
    • 2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • AMTB390
    • SCHEMBL13471474
    • A923010
    • CS-0175906
    • F71740
    • 625458-85-7
    • EN300-768216
    • DB-408211
    • AKOS017975405
    • DTXSID20473616
    • CUOOVGGNLPMDIC-UHFFFAOYSA-N
    • MFCD20527105
    • AS-2650
    • MDL： MFCD20527105
    • Inchi： 1S/C16H25BO2/c1-6-7-8-13-9-11-14(12-10-13)17-18-15(2,3)16(4,5)19-17/h9-12H,6-8H2,1-5H3
    • InChI Key： CUOOVGGNLPMDIC-UHFFFAOYSA-N
    • SMILES： O1B(C2C=CC(=CC=2)CCCC)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 260.19500
  • Monoisotopic Mass: 260.1947602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 277
  • 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: 18.5?2

Experimental Properties

  • PSA: 18.46000
  • LogP: 3.32840

2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Security Information

2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B415148-100mg
2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
 625458-85-7
100mg
 $ 64.00 2023-04-18
TRC
B415148-250mg
2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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TRC
B415148-1g
2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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 $ 160.00 2022-06-07
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Production Method

2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane Related Literature

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