Description

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1,2,3,6-tetrahydropyridine (CAS: 1219931-41-5) is a highly specialized boronate ester compound with the molecular formula C₁₃H₂₁BF₃NO₂. This organoboron reagent features a pinacol boronate ester group coupled with a trifluoroethyl-substituted tetrahydropyridine scaffold, making it a valuable intermediate in synthetic organic chemistry and medicinal chemistry research. The compound is characterized by its stability under inert conditions and its reactivity in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex fluorinated heterocycles. With a purity typically ≥95% (HPLC), this product is supplied as a crystalline solid or powder, stored under nitrogen to ensure longevity. Ideal for pharmaceutical research, agrochemical development, and materials science applications where fluorinated boronic esters are required.

Properties

• CAS Number: 1219931-41-5
• Complexity: 391
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
• InChI: InChI=1S/C13H21BF3NO2/c1-11(2)12(3,4)20-14(19-11)10-5-7-18(8-6-10)9-13(15,16)17/h5H,6-9H2,1-4H3
• InChI Key: UFKUKPYUIMQHQV-UHFFFAOYSA-N
• Exact Mass: 291.1617436
• Molecular Formula: C13H21BF3NO2
• Molecular Weight: 291.12
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)CC(F)(F)F
• Topological: 21.7
• Monoisotopic Mass: 291.1617436
• Synonyms: 1219931-41-5, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-(2,2,2-TRIFLUOROETHYL)-1,2,3,6-TETRAHYDROPYRIDINE, 1-(2,2,2-TRIFLUOROETHYL)-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine, MFCD18383322, 1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-pyridine, SCHEMBL13393554, UFKUKPYUIMQHQV-UHFFFAOYSA-N, CS-B0966, AKOS028113610, AB75488, 1-(2,2,2-TRIFLUOROETHYL)-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC?ACID?PINACOL?ESTER, AC-37699, CS-14997, SY070898, DB-194485, W17589

Application

This compound serves as a key building block in the synthesis of fluorinated heterocyclic compounds via transition-metal-catalyzed cross-coupling reactions. It is particularly useful in medicinal chemistry for creating potential drug candidates with enhanced metabolic stability due to the trifluoroethyl moiety. Researchers also employ it in materials science to develop novel boron-containing polymers with unique electronic properties. The pinacol boronate group facilitates efficient Suzuki couplings with aryl halides under mild conditions.

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