Description

Di-tert-butyl 3,3′-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluorene-9,9-diyl)dipropanoate (CAS: 1067250-02-5) is a high-purity boronate ester compound with the molecular formula C₃₃H₄₅BO₆. This advanced organic intermediate features a fluorene core functionalized with a 4,4,5,5-tetramethyl-1,3,2-dioxaborolane group and two tert-butyl propanoate side chains, making it a versatile building block for Suzuki-Miyaura cross-coupling reactions and other organoboron chemistry applications. The tert-butyl ester groups enhance solubility and stability, while the boronate moiety enables efficient transmetalation in palladium-catalyzed transformations. Ideal for researchers in pharmaceutical development, materials science, and synthetic organic chemistry, this compound is supplied with comprehensive analytical data (NMR, HPLC, MS) to ensure batch-to-batch consistency. Store under inert conditions at -20°C for prolonged stability.

Properties

• CAS Number: 1067250-02-5
• Complexity: 880
• IUPAC Name: tert-butyl 3-[9-(3-tert-butoxy-3-oxo-propyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]propanoate
• InChI: InChI=1S/C33H45BO6/c1-29(2,3)37-27(35)17-19-33(20-18-28(36)38-30(4,5)6)25-14-12-11-13-23(25)24-16-15-22(21-26(24)33)34-39-31(7,8)32(9,10)40-34/h11-16,21H,17-20H2,1-10H3
• InChI Key: SSACPKZAZSEUBS-UHFFFAOYSA-N
• Exact Mass: 548.3309193
• Molecular Formula: C33H45BO6
• Molecular Weight: 548.5
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=CC=CC=C4C3(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
• Topological: 71.1
• Monoisotopic Mass: 548.3309193
• Synonyms: 1067250-02-5, Di-tert-butyl 3,3′-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluorene-9,9-diyl)dipropanoate, Di-tert-butyl 3,3′-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluorene-9,9-diyl)dipropionate

Application

This compound serves as a key intermediate in the synthesis of conjugated polymers and small molecules for organic electronics, including OLEDs and OFETs. Its boronate ester group enables efficient cross-coupling reactions to construct extended π-systems. Researchers also utilize it in pharmaceutical development for creating fluorene-based scaffolds with tailored steric and electronic properties. The tert-butyl ester protection allows selective deprotection for further functionalization.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.