2,6-BIS[(3AS,8AR)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLIN-2-YL]PYRIDINE

CAS No.
185346-09-2
CCD No.
CCD00505298
Formula
C25 H19 N3 O2
MolWeight
393.444

Basic Information

Product Name: 2,6-BIS[(3AS,8AR)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLIN-2-YL]PYRIDINE
CAS: 185346-09-2
English Synonyms: INDENYL-PYBOX ; (-)-2,6-BIS[2-(3AS-(2(3'AR*,8'AS*),3ALPHA,8ALPHA)-3ALPHA,8ALPHA-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE)]PYRIDINE ; (3AS,3'AS,8AR,8'AR)-2,2'-(2,6-PYRIDINEDIYL)BIS[3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE] ; 2,6-BIS[(3AS,8AR)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLIN-2-YL]PYRIDINE ; (3AS,8AR)-IN-PYBOX ; (-)-2,6-BIS[2-{3AS-(2(3'AR*,8'AS*),3AΑ,8AΑ)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE}]PYRIDINE ; (-)-2,6-BIS[(3AS,8AR)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLIN-2-YL]PYRIDINE ; (-)-2,6-BIS[2-[3AS-(2(3'AR*,8'AS*),3A,8A)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE]]PYRIDINE ; (-)-2,6-BIS[2-[3AS-(2(3'AR*,8'AS*),3A ALPHA,8A ALPHA)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE]]PYRIDINE
MDL Number.: MFCD05861599
H bond acceptor: 5
H bond donor: 0
Smile: c1ccc2c(c1)C[C@@H]3[C@H]2N=C(O3)c4cccc(n4)C5=N[C@H]6c7ccccc7C[C@H]6O5
InChi: 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
InChiKey: InChIKey=BZSJUFJXCHHRHW-LUKWVAJMSA-N

Property

Melting Point: 276-281 DEG C
Comments: 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
OPTICAL ACTIVITY: [ALPHA]20/D -375 DEG, C = 1 IN DICHLOROMETHANE (TYPICAL)
UNSPSC: 12352100
WGK: 3

Safety information

Hazard statements: H413
WGK Germany: 3

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