5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole


Chemical Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CAS Number: 936902-12-4
Product Number: AG0036SX(AGN-PC-09PZBH)
Synonyms:
MDL No:
Molecular Formula: C13H16BNO3
Molecular Weight: 245.0820

Identification/Properties


Properties
MP:
88-93°C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
245.085g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
245.122g/mol
Monoisotopic Mass:
245.122g/mol
Topological Polar Surface Area:
44.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
318
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

Safety Information


NMR Spectrum


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Chemical Structure



5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole is a versatile compound utilized in chemical synthesis as a key building block in the creation of a wide range of organic molecules. This unique compound serves as a valuable precursor in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds with high efficiency and selectivity. Its boron functionality plays a crucial role in facilitating these coupling reactions, allowing for the incorporation of the benzo[d]oxazole moiety into complex structures with precision. Additionally, the tetramethyl substitution pattern on the boron atom contributes to the compound's stability and reactivity, making it an excellent tool for the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals.