Cas no 1398414-30-6 (4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Phenol)

4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is a boronic ester derivative commonly used as an intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its key advantages include enhanced stability under ambient conditions compared to boronic acids, making it easier to handle and store. The sterically hindered dioxaborolane group improves selectivity in coupling reactions, while the phenolic moiety offers additional reactivity for further functionalization. This compound is valuable in pharmaceutical and materials science research, where precise control over molecular architecture is required. Its compatibility with a range of reaction conditions and substrates makes it a versatile building block for constructing complex aromatic systems.
4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Phenol structure
1398414-30-6 structure
Product Name:4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Phenol
CAS No:1398414-30-6
MF:C13H19BO3
MW:234.099164247513
MDL:MFCD16994283
CID:2114494
PubChem ID:58710900
Update Time:2025-06-08

4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Phenol Chemical and Physical Properties

Names and Identifiers

    • 4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Phenol
    • 1398414-30-6
    • SCHEMBL1753525
    • 962-590-4
    • Z2044784156
    • CS-0147997
    • EN300-25778700
    • 4-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
    • 2-Hydroxy-5-methylphenylboronic acid pinacol ester
    • AKOS027425521
    • DA-39150
    • MFCD16994283
    • F14657
    • MB15290
    • MDL: MFCD16994283
    • Inchi: 1S/C13H19BO3/c1-9-6-7-11(15)10(8-9)14-16-12(2,3)13(4,5)17-14/h6-8,15H,1-5H3
    • InChI Key: QUYCGOSWQMOXCJ-UHFFFAOYSA-N
    • SMILES: O1B(C2C(=CC=C(C)C=2)O)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 234.1427246Da
  • Monoisotopic Mass: 234.1427246Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 274
  • 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: 38.7?2

4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Phenol Pricemore >>

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abcr
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