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673978

Sigma-Aldrich

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

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About This Item

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

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

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

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

Certificates of Analysis (COA)

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