2-cycloheptyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane


Chemical Name: 2-cycloheptyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number: 931583-43-6
Product Number: AG006I3O(AGN-PC-09PZIX)
Synonyms:
MDL No:
Molecular Formula: C13H25BO2
Molecular Weight: 224.1474

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
224.151g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
224.195g/mol
Monoisotopic Mass:
224.195g/mol
Topological Polar Surface Area:
18.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
226
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Cycloheptyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, is a specialized compound commonly employed in chemical synthesis. This organic boron compound serves as a versatile building block in the creation of various complex molecules. Due to its unique structural properties, 2-Cycloheptyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is particularly useful in Suzuki-Miyaura cross-coupling reactions. This reaction, facilitated by palladium catalysis, enables the formation of carbon-carbon bonds, making it a fundamental tool in the synthesis of pharmaceuticals, agrochemicals, and materials science. The presence of the cycloheptyl and tetramethyl groups in the molecule confers steric hindrance, leading to enhanced selectivity and efficiency in these synthetic transformations. Furthermore, the boron moiety in 2-Cycloheptyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane can be readily converted into various functional groups, expanding its utility in diverse chemical transformations.