Description

(3aS,4S,6S,7aR)-3a,5,5-Trimethyl-2-(2-methylpropyl)hexahydro-2H-4,6-methano-1,3,2-benzodioxaborole (CAS: 84110-34-9) is a highly specialized boronic ester compound designed for advanced research and industrial applications. With the molecular formula C₁₄H₂₅BO₂, this chiral organoboron derivative features a rigid pinanediol-based structure, offering exceptional stereochemical control in asymmetric synthesis. The compound is supplied as a high-purity reagent (>95%) with strict quality control to ensure batch-to-batch consistency for critical applications. Its unique bicyclic framework makes it particularly valuable as a chiral auxiliary in transition metal catalysis and as a building block for pharmaceutical intermediates. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability of this moisture-sensitive compound.

Properties

• CAS Number: 84110-34-9
• Complexity: 328
• IUPAC Name: (1S,2S,6R,8S)-4-isobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
• InChI: InChI=1S/C14H25BO2/c1-9(2)8-15-16-12-7-10-6-11(13(10,3)4)14(12,5)17-15/h9-12H,6-8H2,1-5H3/t10-,11-,12+,14-/m0/s1
• InChI Key: QGWQMLAZUPRXGK-FMSGJZPZSA-N
• Exact Mass: 236.1947602
• Molecular Formula: C14H25BO2
• Molecular Weight: 236.16
• SMILES: B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)CC(C)C
• Topological: 18.5
• Monoisotopic Mass: 236.1947602
• Synonyms: 84110-34-9, DTXSID70511259, (3aS,4S,6S,7aR)-3a,5,5-Trimethyl-2-(2-methylpropyl)hexahydro-2H-4,6-methano-1,3,2-benzodioxaborole, DTXCID80462066, (3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole, 2-METHYLPROPANEBORONIC ACID (1S,2S,3R,5S)-(+)-2,3-PINANEDIOL ESTER, (1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decane, (1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane, MFCD09837626, QGWQMLAZUPRXGK-FMSGJZPZSA-N, SCHEMBL459674, BCP25879, AKOS015991281, BS-2112, 2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole, AC-33917, CS-0154258, H11813, (3aS,4S,6S,7aR)-3a,5,5-trimethyl-2-(2-methylpropyl)hexahydro-4,6-methano-1,3,2-benzodioxaborole, 2-Methylpropaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester (3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-triMethylhexahydro-4,6-Methanobenzo[d][1,3,2]dioxaborole

This chiral boronic ester serves as a key intermediate in asymmetric synthesis of biologically active compounds, particularly in pharmaceutical research. The compound’s rigid structure makes it valuable for Suzuki-Miyaura cross-coupling reactions with excellent stereocontrol. Researchers utilize it as a chiral derivatizing agent for NMR analysis of enantiomeric purity. In materials science, it finds application in the development of boron-containing polymers with unique optical properties.

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