1150561-63-9 | 3-Methoxycarbonyl-5-trifluoromethoxylphenylboronic acid, pinacol ester

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$65.00	$45.00
250mg	95%	in stock	$146.00	$102.00
1g	95%	in stock	$387.00	$271.00
5g	95%	in stock	$1,132.00	$793.00
10g	95%	in stock	$1,879.00	$1,316.00

Description

• Catalog Number: AA20286
• Chemical Name: 3-Methoxycarbonyl-5-trifluoromethoxylphenylboronic acid, pinacol ester
• CAS Number: 1150561-63-9
• Molecular Formula: C15H18BF3O5
• Molecular Weight: 346.1066
• MDL Number: MFCD12026096
• SMILES: COC(=O)c1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)OC(F)(F)F

Computed Properties

• Complexity: 464
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4

Upstream Synthesis Route

Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzoate is utilized as a key reagent in organic chemical synthesis. This compound serves as a versatile building block in the construction of complex molecular structures due to its unique structural features and reactivity. Specifically, it is commonly employed in palladium-catalyzed cross-coupling reactions to introduce the trifluoromethoxybenzoyl group into various organic molecules. This process enables the efficient formation of carbon-carbon bonds, facilitating the synthesis of diverse pharmaceuticals, agrochemicals, and materials with enhanced properties. Additionally, the presence of the boronate ester moiety in the molecule provides opportunities for further functionalization through selective transformations, expanding its utility in the creation of novel chemical entities with tailored properties.