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185346-09-2

185346-09-2 Structure

185346-09-2 Structure
IdentificationBack Directory
[Name]

(-)-2,6-BIS[2-[3AS-(2(3'AR*,8'AS*),3A,8A)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE]]PYRIDINE
[CAS]

185346-09-2
[Synonyms]

Ι
aR*,8'
(3aS,8aR)-in-pybox
(-)-2,6-Bis[2-{3aS-(2(3'
2,6-BIS((3AS,8AR)-8H-INDENO(1,2-D)OXAZO&
aS*),3aα,8aα)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole}]pyridine
2,6-Bis[(3aS,8aR)-(-)-8H-indeno[1,2-d]oxazolin-2-yl)]pyridine
2,6-Bis((3aS,8aR)-8,8a-dihydro-3aH-indeno[1,2-d]oxazol-2-yl)pyridine
2,6-Bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]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[2-[3AS-(2(3'AR*,8'AS*),3A,8A)-3A,8A-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],99%e.e.
(-)-2,6-Bis[2-{3aS-(2(3'aR*,8'aS*),3aα,8aα)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole}]pyridine,97%
(-)-2,6-Bis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine, min. 97% Indenyl-PYBOX
(-)-2,6-Bis[2-{3aS-(2(3'aR*,8'aS*),3aα,8aα)-3a,8a-dihydro-8H-indeno [1,2-d]oxazole}]pyridine, min. 97% 
(3aS,8aR)-in-pybox, (3aS,3μaS,8aR,8μaR)-2,2μ-(2,6-Pyridinediyl)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole
(-)-2,6-Bis[2-{3aS-(2(3'aR*,8'aS*),3aalpha,8aalpha)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole}]pyridine,min.97%
(-)-2,6-Bis[2-{3aS-(2(3'aR*,8'aS*),3aalpha:,8aalpha:)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole}]pyridine, min. 97%
Dimethlyammonium dichlorotri(μ-chloro)bis[(S)-(?)-2,2′-bis(dip-tolylphosphino)1,1′-binaphthyl]diruthenate(Ι
[Molecular Formula]

C25H19N3O2
[MDL Number]

MFCD05861599
[MOL File]

185346-09-2.mol
[Molecular Weight]

393.44
Chemical PropertiesBack Directory
[Melting point ]

265°C (dec.)
[alpha ]

-364.0° (c 1.04, CH2Cl2)
[Boiling point ]

633.0±55.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Powder
[pka]

4.35±0.20(Predicted)
[color ]

white to off-white
[Optical Rotation]

[α]20/D -375°, c = 1 in dichloromethane (typical)
[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]

BZSJUFJXCHHRHW-LUKWVAJMSA-N
[SMILES]

C1(C2=N[C@@]3([H])C4=C(C=CC=C4)C[C@@]3([H])O2)=NC(C2=N[C@@]3([H])C4=C(C=CC=C4)C[C@@]3([H])O2)=CC=C1
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39-36
[WGK Germany ]

3
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 4
Questions And AnswerBack Directory
[Reaction]

  1. Ligand for Iridium-catalyzed enantio- and diastereoselective reductive aldol reactions
  2. Ligand for Scandium-catalyzed asymmetric Nazarov reactions
  3. Ligand for Scandium-catalyzed enantioselective pyrrole alkylations of α,β-unsaturated 2-acyl imidazoles
  4. Ligand for Scandium-catalyzed enantioselective Friedel-Crafts Alkylations
  5. Ligand for Nickel-catalyzed asymmetric cross-couplings of racemic propargyl groups with arylzinc reagents
  6. Ligand for Scandium-catalyzed enantioselective intramolecular carbonyl-ene reaction, the synthesis of (+)-triptophenolide
  7. Ligand for Scandium-catalyzed asymmetric synthesis of substituted 3-hydroxy-2-oxindoles
  8. Ligand for Indium-catalyzed enantio- and regioselective addition of pyrroles to isatins
  9. Ligand for Scandium-catalyzed asymmetric [3+2] annulation of allylsilanes with isatins in the synthesis of spirooxindoles
  10. Ligand for Scandium-catalyzed enantioselective allylation of isatins using allylsilanes
  11. Ligand for Scandium-catalyzed enantioselective carboannulation with allylsilanes
Reactions of 185346-09-2_1
Reactions of 185346-09-2_2
Reactions of 185346-09-2_3
Spectrum DetailBack Directory
[Spectrum Detail]

(-)-2,6-BIS[2-[3AS-(2(3'AR*,8'AS*),3A,8A)-3A,8A-DIHYDRO-8H-INDENO[1,2-D]OXAZOLE]]PYRIDINE(185346-09-2)1HNMR
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