1100052-63-8 | 3-(Methoxycarbonyl)indole-5-boronic acid pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$106.00	$75.00
250mg	97%	in stock	$182.00	$127.00
1g	97%	in stock	$459.00	$321.00
5g	97%	in stock	$1,755.00	$1,229.00

Description

• Catalog Number: AI08058
• Chemical Name: 3-(Methoxycarbonyl)indole-5-boronic acid pinacol ester
• CAS Number: 1100052-63-8
• Molecular Formula: C16H20BNO4
• Molecular Weight: 301.1453
• MDL Number: MFCD20486631
• SMILES: COC(=O)c1c[nH]c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C

Computed Properties

• Complexity: 437
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3

Upstream Synthesis Route

3-(Methoxycarbonyl)indole-5-boronic acid pinacol ester is a versatile compound widely used in chemical synthesis for various applications. In organic chemistry, it serves as a key building block for the preparation of complex molecules due to its unique structural properties and reactivity. One of the primary applications of this compound lies in its utility as a valuable reagent in Suzuki-Miyaura cross-coupling reactions. This powerful synthetic method allows for the efficient formation of carbon-carbon bonds under mild conditions, enabling the rapid construction of diverse molecular architectures. Additionally, 3-(Methoxycarbonyl)indole-5-boronic acid pinacol ester plays a crucial role in the synthesis of pharmaceuticals, agrochemicals, and materials science, where precise control over molecular structure is essential for desired properties and functions. Its ability to participate in selective C-H functionalization and other catalytic transformations further expands its synthetic utility, making it a valuable tool for the modern chemist seeking innovative ways to design and construct complex molecules.