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Molecule
1,1′-[(1R)-1-Methyl-1,2-Ethanediyl]Bis[Diphenylphosphine]
CAS: 67884-32-6 · C27H26P2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 67884-32-6
- Molecular Formula
- C27H26P2
- Molecular Mass
- 412.45 g/mol
Identifiers
CAS Registry Number
67884-32-6
SMILES
C[C@H](CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChI Key
WGOBPPNNYVSJTE-HSZRJFAPSA-N
InChI
InChI=1S/C27H26P2/c1-23(29(26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21,23H,22H2,1H3/t23-/m1/s1
Names and Synonyms
- 1,1′-[(1R)-1-Methyl-1,2-Ethanediyl]Bis[Diphenylphosphine] Synonym
- Phosphine, 1,1′-[(1R)-1-methyl-1,2-ethanediyl]bis[diphenyl- Synonym
- 1,1′-[(1R)-1-Methyl-1,2-ethanediyl]bis[diphenylphosphine] Synonym
- Prophos Synonym
- (R)-Prophos Synonym
- (+)-Prophos Synonym
- (R)-1,2-Bis(diphenylphosphino)propane Synonym
- (2R)-1,2-Bis(diphenylphosphino)propane Synonym
- (R)-(+)-1,2-Bis(diphenylphosphino)propane Synonym
- Phosphine, (1-methyl-1,2-ethanediyl)bis[diphenyl-, (R)- Synonym
- Phosphine, [(1R)-1-methyl-1,2-ethanediyl]bis[diphenyl- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 412.45 g/mol | CAS Common Chemistry |
| 412.4530000000001 g/mol | RDKit | |
| 412.453 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)CC(P(C=3C=CC=CC3)C=4C=CC=CC4)C | CAS Common Chemistry |
| InChI | InChI=1S/C27H26P2/c1-23(29(26-18-10-4-11-19-26)27-20-12-5-13-21-27)22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h2-21,23H,22H2,1H3/t23-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WGOBPPNNYVSJTE-HSZRJFAPSA-N | CAS Common Chemistry |
| Name | 1,1′-[(1R)-1-Methyl-1,2-ethanediyl]bis[diphenylphosphine] | CAS Common Chemistry |
| Heavy Atom Count | 29 | 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 | 5.640700000000005 | RDKit |
| 5.6407 | RDKit | |
| Molar Refractivity | 132.47299999999996 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 412.150974092 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 412.45 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C27H26P2.
