Cas no 209673-76-7 (3,4-Bis(2-methylpropyloxy)benzeneboronicacid)

3,4-Bis(2-methylpropyloxy)benzeneboronic acid is a boronic acid derivative featuring two isobutyloxy substituents on the benzene ring. This compound is primarily utilized in Suzuki-Miyaura cross-coupling reactions, where its boronic acid functionality enables efficient carbon-carbon bond formation with aryl or vinyl halides. The presence of the 2-methylpropyloxy groups enhances solubility in organic solvents, facilitating reaction handling and purification. Its stability under mild conditions makes it suitable for applications in pharmaceutical and materials science research. The compound’s structural design allows for selective reactivity, making it a valuable intermediate in the synthesis of complex organic molecules. Proper storage under inert conditions is recommended to maintain its integrity.
3,4-Bis(2-methylpropyloxy)benzeneboronicacid structure
209673-76-7 structure
Product Name:3,4-Bis(2-methylpropyloxy)benzeneboronicacid
CAS No:209673-76-7
MF:C14H23BO4
MW:266.141024827957
CID:66815
PubChem ID:22146226
Update Time:2025-05-28

3,4-Bis(2-methylpropyloxy)benzeneboronicacid Chemical and Physical Properties

Names and Identifiers

    • 3,4-Bis(2-methylpropyloxy)benzeneboronic acid
    • [3,4-bis(2-methylpropoxy)phenyl]boronic acid
    • (3,4-Diisobutoxyphenyl)boronic acid
    • boronic acid, B-[3,4-bis(2-methylpropoxy)phenyl]-
    • 3,4-bis(2-methylpropoxy)benzeneboronic acid
    • 3,4-Bis(2-methylpropyloxy)benzeneboronicacid
    • SCHEMBL1156315
    • [3, 4-bis(2-methylpropoxy)phenyl]boronic acid
    • DTXSID10622919
    • 209673-76-7
    • Inchi： 1S/C14H23BO4/c1-10(2)8-18-13-6-5-12(15(16)17)7-14(13)19-9-11(3)4/h5-7,10-11,16-17H,8-9H2,1-4H3
    • InChI Key： GXFNEUAHCFVNCM-UHFFFAOYSA-N
    • SMILES： O(C1C=C(B(O)O)C=CC=1OCC(C)C)CC(C)C

Computed Properties

  • Exact Mass: 265.17259
  • Monoisotopic Mass: 266.1689394g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 7
  • Complexity: 246
  • 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: 58.9?2

Experimental Properties

  • Density: 1.06
  • Boiling Point: 399.103°C at 760 mmHg
  • Flash Point: 195.171°C
  • Refractive Index: 1.499
  • PSA: 58.92
  • LogP: 1.43600

3,4-Bis(2-methylpropyloxy)benzeneboronicacid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B016169-100mg
3,4-Bis(2-methylpropyloxy)benzeneboronicacid
 209673-76-7
100mg
 $ 240.00 2022-06-07
TRC
B016169-250mg
3,4-Bis(2-methylpropyloxy)benzeneboronicacid
 209673-76-7
250mg
 $ 495.00 2022-06-07
TRC
B016169-500mg
3,4-Bis(2-methylpropyloxy)benzeneboronicacid
 209673-76-7
500mg
 $ 795.00 2022-06-07

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