| Identification | Back Directory | [Name]
(1S,4S,8S)-5-BENZYL-8-METHOXY-1,8-DIMETHYL-2-(2'-METHYLPROPYL)-BICYCLO [2.2.2]OCTA-2,5-DIENE | [CAS]
862499-50-1 | [Synonyms]
(1s,4s,8s)-5-benzyl-2-isobutyl-8-methoxy-1,8-dimethyl-2-bicyclo[2.2.2]octa-2,5-diene (1S,4S,8S)-5-Benzyl-2-isobutyl-8-methoxy-1,8-dimethylbicyclo[2.2.2]octa-2,5-diene
(1S,4S,8S)-5-BENZYL-8-METHOXY-1,8-DIMETHYL-2-(2'-METHYLPROPYL)-BICYCLO [2.2.2]OCTA-2,5-DIENE Bicyclo[2.2.2]octa-2,5-diene, 8-methoxy-1,8-dimethyl-2-(2-methylpropyl)-5-(phenylmethyl)-, (1S,4S,8S)- (1S,4S,8S) Carreira DOLEFIN Ligand, (1S,4S,8S)-5-Benzyl-2-isobutyl-8-methoxy-1,8-dimethyl-2-bicyclo[2.2.2]octa-2,5-diene | [Molecular Formula]
C22H30O | [MDL Number]
MFCD09265063 | [MOL File]
862499-50-1.mol | [Molecular Weight]
310.47 |
| Chemical Properties | Back Directory | [Boiling point ]
392.1±42.0 °C(Predicted) | [density ]
1.00±0.1 g/cm3(Predicted) | [refractive index ]
n20/D1.522 | [form ]
liquid | [Optical Rotation]
[α]/D 84±5°, c = 0.5 in chloroform | [InChI]
1S/C22H30O/c1-16(2)11-19-13-20-18(12-17-9-7-6-8-10-17)14-21(19,3)15-22(20,4)23-5/h6-10,13-14,16,20H,11-12,15H2,1-5H3/t20-,21+,22-/m0/s1 | [InChIKey]
ACWLDJOHMGJACE-BDTNDASRSA-N | [SMILES]
CO[C@@]1(C)C[C@@]2(C)C=C(Cc3ccccc3)[C@@H]1C=C2CC(C)C |
| Hazard Information | Back Directory | [Uses]
Carreira DOLEFIN Ligands | [General Description]
(1S,4S,8S)-5-Benzyl-2-isobutyl-8-methoxy-1,8-dimethylbicyclo[2.2.2]octa-2,5-diene, an enantiopure diene ligand developed by Carreira, is most commonly used in asymmetric catalysis. It is generally prepared from commercially available (R)-carvone. | [reaction suitability]
reaction type: click chemistry |
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