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862499-50-1

862499-50-1 Structure

862499-50-1 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack 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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