CAS 1352413-09-2

1,1-Dimethylethyl N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

Description:

1,1-Dimethylethyl N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate, identified by its CAS number 1352413-09-2, is a chemical compound characterized by its complex structure, which includes a carbamate functional group and a boron-containing moiety. This compound typically exhibits properties associated with both organic and organoboron chemistry, making it of interest in various applications, including pharmaceuticals and agrochemicals. The presence of the dimethyl group contributes to its steric hindrance, potentially influencing its reactivity and solubility. The dioxaborolane ring is known for its stability and ability to participate in various chemical transformations, particularly in cross-coupling reactions. Additionally, the phenyl group with methyl substitution may enhance the compound's lipophilicity, affecting its biological activity and interaction with other molecules. Overall, this compound's unique structural features suggest potential utility in synthetic chemistry and material science, although specific applications would depend on further research and development.

Formula: C₁₈H₂₈BNO₄

InChI: InChI=1S/C18H28BNO4/c1-12-9-13(19-23-17(5,6)18(7,8)24-19)11-14(10-12)20-15(21)22-16(2,3)4/h9-11H,1-8H3,(H,20,21)

InChI key: InChIKey=KSZKPTFZNNBPJW-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CC(NC(OC(C)(C)C)=O)=CC(C)=C2

Synonyms:

• 1,1-Dimethylethyl N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
• Carbamic acid, N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 1,1-dimethylethyl ester
• tert-Butyl N-[3-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate