Description

5-Chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS No. 1269232-96-3) is a high-purity boronic ester derivative with the molecular formula C₁₂H₁₆BClFNO₂. This compound is a valuable intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds in complex molecular architectures. Its stable dioxaborolane ring and reactive aniline group make it ideal for pharmaceutical research, agrochemical development, and materials science applications. The product is supplied as a crystalline solid with >95% purity (HPLC), ensuring consistency for sensitive synthetic workflows. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 1269232-96-3
• Complexity: 313
• IUPAC Name: 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• InChI: InChI=1S/C12H16BClFNO2/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(16)10(8)15/h5-6H,16H2,1-4H3
• InChI Key: WFFDTMNHOINATE-UHFFFAOYSA-N
• Exact Mass: 271.0946648
• Molecular Formula: C12H16BClFNO2
• Molecular Weight: 271.52
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)N)Cl
• Topological: 44.5
• Monoisotopic Mass: 271.0946648
• Synonyms: 1269232-96-3, 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, Benzenamine, 5-chloro-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, WFFDTMNHOINATE-UHFFFAOYSA-N, MFCD22189454, SCHEMBL1494585, DTXSID70725899, ZB1265, AS-78208, DB-100272, CS-0196654, 5-Chloro-2-fluoroaniline-3-boronic acid pinacol ester, 5-chloro-2-fluoro-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzenaMine

Application

This compound is widely used as a key building block in palladium-catalyzed cross-coupling reactions for synthesizing biaryl structures found in drug candidates. It serves as a precursor for fluorinated pharmaceutical intermediates and functional materials. Researchers utilize it in medicinal chemistry to introduce chloro-fluoro-aniline motifs into target molecules. The boronic ester moiety provides excellent stability while maintaining reactivity for diverse transformations.

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