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Molecule
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
Identifiers
CAS Registry Number
64896-28-2
SMILES
C[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChI Key
FWXAUDSWDBGCMN-ZEQRLZLVSA-N
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
Names and Synonyms
- 1,1′-[(1S,2S)-1,2-Dimethyl-1,2-Ethanediyl]Bis[1,1-Diphenylphosphine] Synonym
- Phosphine, 1,1′-[(1S,2S)-1,2-dimethyl-1,2-ethanediyl]bis[1,1-diphenyl- Synonym
- Phosphine, (1,2-dimethyl-1,2-ethanediyl)bis[diphenyl-, [S-(R*,R*)]- Synonym
- Phosphine, [(1S,2S)-1,2-dimethyl-1,2-ethanediyl]bis[diphenyl- Synonym
- 1,1′-[(1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[1,1-diphenylphosphine] Synonym
- Chiraphos Synonym
- (S,S)-(-)-Chiraphos Synonym
- (S,S)-Chiraphos Synonym
- (-)-Chiraphos Synonym
- [S-(R*,R*)]-2,3-Bis(diphenylphosphino)butane Synonym
- (2S,3S)-2,3-Bis(diphenylphosphino)butane Synonym
- (S,S)-2,3-Bis(diphenylphosphino)butane Synonym
- (S,S)-(-)-(1,2-Dimethyl-1,2-ethanediyl)bis(diphenylphosphine) Synonym
- [(1S,2S)-1,2-dimethyl-1,2-ethanediyl]bis[diphenylphosphine] Synonym
- (2S,3S)-Chiraphos Synonym
- 2S,3S-Bis(diphenylphosphino)butane Synonym
- (2S,3S)-Chiraphos Synonym
- (2S,3S)-(-)-2,3-Bis(diphenylphosphino)butane Synonym
- (1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[diphenylphosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 426.48 g/mol | CAS Common Chemistry |
| 426.48000000000013 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 |
| 6.0292 | RDKit | |
| Molar Refractivity | 137.06799999999987 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 426.166624156 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 426.48 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C28H28P2.
