1,3,2-Dioxaborolane, 2-benzo[b]thien-2-yl-4,4,5,5-tetramethyl-


Chemical Name: 1,3,2-Dioxaborolane, 2-benzo[b]thien-2-yl-4,4,5,5-tetramethyl-
CAS Number: 376584-76-8
Product Number: AG003O1G(AGN-PC-0NHX0B)
Synonyms:
MDL No:
Molecular Formula: C14H17BO2S
Molecular Weight: 260.1596

Identification/Properties


Properties
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
260.158g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
260.104g/mol
Monoisotopic Mass:
260.104g/mol
Topological Polar Surface Area:
46.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
316
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(Benzo[b]thiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a versatile and valuable compound in chemical synthesis. Its unique structure incorporating a benzo[b]thiophene ring and boron functionality allows it to be utilized in a variety of synthetic reactions and transformations. This compound is particularly valuable in Suzuki-Miyaura cross-coupling reactions, where it serves as a boronate ester partner in coupling with various aryl halides or pseudohalides. Additionally, 2-(Benzo[b]thiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane can be employed in the synthesis of complex heterocyclic compounds, pharmaceutical intermediates, and materials science applications. Its selective reactivity and stability make it a crucial building block for the preparation of advanced organic molecules with tailored properties.