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Sl-J009-1
CAS: 158923-11-6 | C32H52FeP2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
158923-11-6
Molecular Formula:
C32H52FeP2
Molecular Mass:
554.56 g/mol
Names and Synonyms:
Sl-J009-1
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
SL-J009-1
Identifiers:
SMILES:
C[C@H]([c-]1cccc1P(C1CCCCC1)C1CCCCC1)P(C(C)(C)C)C(C)(C)C.[Fe+2].c1cc[cH-]c1
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 554.56 g/mol | CAS Common Chemistry |
| 554.5610000000003 g/mol | RDKit | |
| 554.289362424 g/mol | RDKit | |
| Canonical SMILES | P(C1CCCCC1)(C2CCCCC2)[C-]34[CH]5=[CH]6[CH]7=C3(C(P(C(C)(C)C)C(C)(C)C)C)[Fe+2]89%10%116754[CH]=%12[CH]%11=[CH]%10[CH-]9[CH]%128 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=XUGHPTFNSLEKBM-GHVWMZMZSA-N | CAS Common Chemistry |
| Name | SL-J009-1 | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 10.720999999999991 | RDKit |
| Molar Refractivity | 159.21099999999964 | RDKit |
