chempirical

Sl-J009-1

C32H52FeP2CAS 158923-11-6554.56 g/mol

Open in Covalent MOL file
C−PPFe2+HC−
Phosphine

Properties

Molecular formula
C32H52FeP2
Molar mass
554.56 g/mol
Exact mass
554.2894 Da
logP
10.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
158923-11-6
SMILES
C[C@H]([c-]1cccc1P(C1CCCCC1)C1CCCCC1)P(C(C)(C)C)C(C)(C)C.[Fe+2].c1cc[cH-]c1
InChIKey
XUGHPTFNSLEKBM-GHVWMZMZSA-N
InChI
InChI=1S/C27H47P2.C5H5.Fe/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23;1-2-4-5-3-1;/h14,19-23H,8-13,15-18H2,1-7H3;1-5H;/q2*-1;+2/t21-;;/m1../s1

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Names and synonyms

7 names
  • Ferrocene, 1-[(1R)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-(dicyclohexylphosphino)-, (2R)-
  • Ferrocene, 1-[1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-(dicyclohexylphosphino)-, [R-(R*,R*)]-
  • (2R)-1-[(1R)-1-[Bis(1,1-dimethylethyl)phosphino]ethyl]-2-(dicyclohexylphosphino)ferrocene
  • [(R)-1-[(S)-2-(Dicyclohexylphosphino)ferrocenyl]ethyl]di-tert-butylphosphine
  • (R)-(-)-1-[(S)-2-(Dicyclohexylphosphino)ferrocenyl]ethyl-di-tert-butylphosphine
  • CyPFt-Bu
  • Josiphos SL-J009-1

Work with Sl-J009-1

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(1S)-1-[Bis(1,1-dimethylethyl)phosphino]-2-[(1S)-1-(diphenylphosphino)ethyl]ferrocene223121-01-554 % similar (1S)-1-[Bis(1,1-dimethylethyl)phosphino]-2-[(1S)-1-[bis(2-methylphenyl)phosphino]ethyl]ferrocene849924-77-250 % similar (2S)-1-[(1S)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene223121-07-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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