[4-(3-methylbutylsulfanyl)phenyl]boronic acid


Chemical Name: [4-(3-methylbutylsulfanyl)phenyl]boronic acid
CAS Number: 1217500-91-8
Product Number: AG0015RW(AGN-PC-07XUHL)
Synonyms:
MDL No:
Molecular Formula: C11H17BO2S
Molecular Weight: 224.1275

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
224.125g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
224.104g/mol
Monoisotopic Mass:
224.104g/mol
Topological Polar Surface Area:
65.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
168
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


Other Analytical Data


Request for Quotation


Customer Feedback


Chemical Structure



As a professional chemist, I can tell you that (4-(Isopentylthio)phenyl)boronic acid is a versatile building block used in chemical synthesis. This compound plays a crucial role in various organic reactions due to its unique structure and reactivity. In chemical synthesis, (4-(Isopentylthio)phenyl)boronic acid can act as a boronic acid derivative, making it valuable for Suzuki-Miyaura cross-coupling reactions. This reaction is widely utilized in the formation of carbon-carbon bonds, allowing the synthesis of complex organic molecules efficiently. The boronic acid group in this compound readily undergoes oxidative addition to transition-metal catalysts, enabling the coupling with aryl halides or pseudohalides.Furthermore, (4-(Isopentylthio)phenyl)boronic acid can also participate in palladium-catalyzed C-H activation reactions, facilitating the functionalization of aromatic compounds. By serving as a directing group, this compound directs the selective activation of specific C-H bonds, leading to regioselective functionalization and enabling the synthesis of diverse organic molecules.Overall, the application of (4-(Isopentylthio)phenyl)boronic acid in chemical synthesis encompasses its use as a key building block for Suzuki-Miyaura cross-coupling and palladium-catalyzed C-H activation reactions, offering chemists a powerful tool for the efficient construction of complex organic structures.