673978

2,6-Bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine

• Synonym(s): (3aS,3′aS,8aR,8′aR)-2,2′-(2,6-Pyridinediyl)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole, (3aS,8aR)-in-pybox
• Empirical Formula (Hill Notation): C₂₅H₁₉N₃O₂
• CAS Number: 185346-09-2
• Molecular Weight: 393.44
• MDL number: MFCD05861599
• UNSPSC Code: 12352005
• PubChem Substance ID: 329760573
• NACRES: NA.22

Properties

• form: solid
• optical activity: [α]20/D -375°, c = 1 in dichloromethane (typical)
• mp: 276-281 °C
• SMILES string: C1[C@H]2OC(=N[C@H]2c3ccccc13)c4cccc(n4)C5=N[C@@H]6[C@@H](Cc7ccccc67)O5
• InChI: 1S/C25H19N3O2/c1-3-8-16-14(6-1)12-20-22(16)27-24(29-20)18-10-5-11-19(26-18)25-28-23-17-9-4-2-7-15(17)13-21(23)30-25/h1-11,20-23H,12-13H2/t20-,21-,22+,23+/m1/s1
• InChI key: BZSJUFJXCHHRHW-LUKWVAJMSA-N

Description

Application

Reactant involved in synthesis of:

• Chiral ruthenium(II)-pybox complexes for use as intramolecular C-H amination catalysts
• Bis(oxazolinyl_pyridine-scandium(III) triflate complex catalyst for enantioselective addition of pyrroles to indoles
• Chiral N,N,N-tridentate pybos and pyboxazine ligands

Safety Information

• Hazard Statements: H413
• Hazard Classifications: Aquatic Chronic 4
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable