1,3,2-Dioxaborolane,2,2'-(1,2-ethynediyldi-4,1-phenylene)bis[4,4,5,5-tetramethyl-


Chemical Name: 1,3,2-Dioxaborolane,2,2'-(1,2-ethynediyldi-4,1-phenylene)bis[4,4,5,5-tetramethyl-
CAS Number: 849681-64-7
Product Number: AG00G7IE(AGN-PC-0UVZO1)
Synonyms:
MDL No:
Molecular Formula: C26H32B2O4
Molecular Weight: 430.1519

Identification/Properties


Computed Properties
Molecular Weight:
430.158g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
430.249g/mol
Monoisotopic Mass:
430.249g/mol
Topological Polar Surface Area:
36.9A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
654
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


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Chemical Structure



4,4,5,5-Tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane is a versatile compound widely used in chemical synthesis as a key building block in the preparation of advanced organic materials. This compound plays a crucial role in various synthetic applications due to its unique structure and reactivity.One of the primary applications of 4,4,5,5-Tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane is in Suzuki-Miyaura cross-coupling reactions. In this process, this compound serves as a boronic ester partner, facilitating the formation of carbon-carbon bonds with aryl halides or pseudohalides. This reaction is widely utilized in the construction of complex organic molecules, including pharmaceutical intermediates, agrochemicals, and advanced materials.Furthermore, the presence of boron atoms in 4,4,5,5-Tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane enhances its utility as a tool in organoboron chemistry. The compound's boron-containing moiety can be further functionalized or transformed into various functional groups, enabling diverse modifications and derivatizations. This flexibility makes it a valuable synthetic intermediate in the development of novel organic compounds with tailored properties and functionalities.Overall, the strategic incorporation of 4,4,5,5-Tetramethyl-2-(4-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}phenyl)-1,3,2-dioxaborolane in chemical synthesis processes enables the efficient construction of complex molecular architectures and paves the way for the discovery of innovative materials with potential applications in diverse fields.