1035235-26-7 | 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$52.00	$37.00
1g	97%	in stock	$142.00	$100.00
5g	97%	in stock	$505.00	$354.00

Description

• Catalog Number: AD69756
• Chemical Name: 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
• CAS Number: 1035235-26-7
• Molecular Formula: C20H30BNO4
• Molecular Weight: 359.2675
• MDL Number: MFCD11044677
• SMILES: O=C(N1CCc2c(C1)cccc2B1OC(C(O1)(C)C)(C)C)OC(C)(C)C

Computed Properties

• Complexity: 526
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 26
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3

Upstream Synthesis Route

The tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate plays a crucial role in chemical synthesis as a versatile building block. With its unique structure, this compound serves as a valuable precursor for the synthesis of various organic molecules and pharmaceutical intermediates.In organic chemistry, tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is commonly utilized in cross-coupling reactions, such as Suzuki-Miyaura coupling. Through these reactions, it can be coupled with different aryl or vinyl halides to form complex molecules with specific functionalities or stereochemistries.Furthermore, this compound can be employed in the preparation of ligands for transition metal-catalyzed transformations. By functionalizing the tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate, chemists can tailor the ligand structure to enhance catalytic efficiency and selectivity in various organic reactions.Overall, the application of tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate in chemical synthesis offers a wide range of possibilities for designing and constructing complex molecules with precision and control.