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1,1′-[(1S,2S)-1,2-Dimethyl-1,2-Ethanediyl]Bis[1,1-Diphenylphosphine]
CAS: 64896-28-2 | C28H28P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64896-28-2
Molecular Formula:
C28H28P2
Molecular Mass:
426.48 g/mol
Names and Synonyms:
1,1′-[(1S,2S)-1,2-Dimethyl-1,2-Ethanediyl]Bis[1,1-Diphenylphosphine]
Phosphine, 1,1′-[(1S,2S)-1,2-dimethyl-1,2-ethanediyl]bis[1,1-diphenyl-
Phosphine, (1,2-dimethyl-1,2-ethanediyl)bis[diphenyl-, [S-(R*,R*)]-
Phosphine, [(1S,2S)-1,2-dimethyl-1,2-ethanediyl]bis[diphenyl-
1,1′-[(1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[1,1-diphenylphosphine]
Chiraphos
(S,S)-(-)-Chiraphos
(S,S)-Chiraphos
(-)-Chiraphos
[S-(R*,R*)]-2,3-Bis(diphenylphosphino)butane
(2S,3S)-2,3-Bis(diphenylphosphino)butane
(S,S)-2,3-Bis(diphenylphosphino)butane
(S,S)-(-)-(1,2-Dimethyl-1,2-ethanediyl)bis(diphenylphosphine)
[(1S,2S)-1,2-dimethyl-1,2-ethanediyl]bis[diphenylphosphine]
(2S,3S)-Chiraphos
2S,3S-Bis(diphenylphosphino)butane
(2S,3S)-Chiraphos
(2S,3S)-(-)-2,3-Bis(diphenylphosphino)butane
(1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[diphenylphosphine
Identifiers:
SMILES:
C[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m0/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 | 426.48 g/mol | CAS Common Chemistry |
| 426.48000000000013 g/mol | RDKit | |
| 426.166624156 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)C(C)C(P(C=3C=CC=CC3)C=4C=CC=CC4)C | CAS Common Chemistry |
| InChI | InChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FWXAUDSWDBGCMN-ZEQRLZLVSA-N | CAS Common Chemistry |
| Name | 1,1′-[(1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[1,1-diphenylphosphine] | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.0292000000000066 | RDKit |
| Molar Refractivity | 137.06799999999987 | RDKit |
