1218791-11-7 | 4-Carboxy-2-nitrophenylboronic acid, pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$106.00	$75.00
5g	98%	in stock	$299.00	$209.00
25g	98%	in stock	$760.00	$532.00

Description

• Catalog Number: AA54625
• Chemical Name: 4-Carboxy-2-nitrophenylboronic acid, pinacol ester
• CAS Number: 1218791-11-7
• Molecular Formula: C13H16BNO6
• Molecular Weight: 293.0802
• MDL Number: MFCD12546615
• SMILES: [O-][N+](=O)c1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)O

Computed Properties

• Complexity: 430
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2

Upstream Synthesis Route

3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, commonly referred to as $name$, is a versatile compound widely used in chemical synthesis. This compound is primarily utilized as a key building block in the synthesis of various organic molecules and pharmaceutical compounds. Its unique structure allows for selective functionalization at specific positions, making it a valuable tool for creating complex molecular structures.In chemical synthesis, $name$ serves as a vital starting material for the modification of aromatic compounds. Through various reactions such as Suzuki-Miyaura coupling, nucleophilic substitution, and catalytic hydrogenation, this compound can be transformed into a wide range of derivatives with diverse chemical properties. These derivatives can further be used in the development of novel materials, pharmaceuticals, and agrochemicals.Additionally, the presence of the nitro group in the molecular structure of $name$ enables it to participate in nitration reactions, leading to the synthesis of nitroaromatic compounds that are important intermediates in organic chemistry. By carefully controlling the reaction conditions and substituent groups, chemists can fine-tune the reactivity and selectivity of $name$, allowing for efficient and precise chemical transformations.In summary, the application of 3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid in chemical synthesis lies in its ability to serve as a versatile building block for the creation of diverse organic molecules and pharmaceutical compounds through selective functionalization and modification processes.