1198605-53-6 | Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$41.00	$29.00
250mg	97%	in stock	$63.00	$45.00
1g	97%	in stock	$162.00	$114.00
5g	97%	in stock	$628.00	$440.00
25g	97%	in stock	$2,990.00	$2,093.00

Description

• Catalog Number: AA33226
• Chemical Name: Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
• CAS Number: 1198605-53-6
• Molecular Formula: C12H18BNO4
• Molecular Weight: 251.0866
• MDL Number: MFCD16995409
• SMILES: COC(=O)c1[nH]cc(c1)B1OC(C(O1)(C)C)(C)C

Computed Properties

• Complexity: 329
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3

Upstream Synthesis Route

Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate is a versatile compound widely utilized in chemical synthesis. With its unique structure incorporating a boron-containing heterocycle, this compound serves as a valuable building block for the preparation of a variety of functional molecules.One key application of Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate is in cross-coupling reactions, particularly in Suzuki-Miyaura coupling. In these reactions, the boron atom enables efficient and selective bond formation with various organic halides or pseudohalides, leading to the synthesis of biaryl compounds, heterocycles, and other complex structures.Furthermore, this compound can be employed in the construction of natural product analogs, pharmaceutical intermediates, and materials for optoelectronic applications. Its compatibility with a wide range of functional groups and its ability to undergo regioselective transformations make it a valuable tool for organic chemists seeking to design and synthesize novel molecules with tailored properties.Overall, Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate plays a vital role in modern organic synthesis, offering chemists a powerful means to access diverse chemical space and drive innovation in various scientific fields.