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(1R)-2-tert-butyl-1-[(1R)-2-tert-butyl-2,3-dihydro-1H-isophosphindol-1-yl]-2,3-dihydro-1H-isophosphindole
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ChemBase ID:
142573
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Molecular Formular:
C24H32P2
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Molecular Mass:
382.458402
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Monoisotopic Mass:
382.19792428
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SMILES and InChIs
SMILES:
CC(C)(C)P1Cc2ccccc2[C@@H]1[C@H]1c2ccccc2CP1C(C)(C)C
Canonical SMILES:
CC(P1Cc2c([C@@H]1[C@H]1c3ccccc3CP1C(C)(C)C)cccc2)(C)C
InChI:
InChI=1S/C24H32P2/c1-23(2,3)25-15-17-11-7-9-13-19(17)21(25)22-20-14-10-8-12-18(20)16-26(22)24(4,5)6/h7-14,21-22H,15-16H2,1-6H3/t21-,22-,25?,26?/m1/s1
InChIKey:
HCBRTCFUVLYSKU-URFUVCHWSA-N
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Cite this record
CBID:142573 http://www.chembase.cn/molecule-142573.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R)-2-tert-butyl-1-[(1R)-2-tert-butyl-2,3-dihydro-1H-isophosphindol-1-yl]-2,3-dihydro-1H-isophosphindole
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IUPAC Traditional name
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(1R)-2-tert-butyl-1-[(1R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole
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Synonyms
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(1R,1′R,2S,2′S)-2,2′-Di-tert-butyl-2,3,2′,3′-tetrahydro-1H,1′H-(1,1′)biisophosphindolyl
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(1R,1′R,2S,2′S)-DuanPhos
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(1R,1′R,2S,2′S)-2,2′-二叔丁基-2,3,2′,3′-四氢-1H,1′H-(1,1′)二异磷哚
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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5.3000956
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LogD (pH = 7.4)
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5.328805
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Log P
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5.3292
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Molar Refractivity
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125.3762 cm3
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Polarizability
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46.059456 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
657697
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Packaging 100, 500 mg in glass bottle Application Chiral Quest Phosphine Ligands for Asymmetric HydrogenationCatalytic ligand used for: • Stereoselective synthesis of cyano-substituted dihydropyrroles by annulation of cyanoallenes1 • Rhodium-catalyzed intermolecular enantioselective hydroacylation of alkynes to give alpha- and beta-substituted unsaturated ketones by kinetic resolution2 • Stereoselective preparation of β-amino nitriles via rhodium-catalyzed asymmetric hydrogenation of amino acrylonitriles3 • Stereoselective preparation of anti-1,3-amino alcohols via rhodium-catalyzed asymmetric hydrogenation of β-ketoenamide intermediates4 • Stereoselective preparation of acetylaminoindane via rhodium-catalyzed asymmetric hydrogenation of acetylaminoindene5 |
PATENTS
PATENTS
PubChem Patent
Google Patent