1,1’-Bis(dicyclohexylphosphino)ferrocene CAS#: 146960-90-9; 凯望编码 (ChemWhat Code): 1411349
Identification
| 英文名 | 1,1’-Bis(dicyclohexylphosphino)ferrocene |
| IUPAC Name | |
| 分子结构 | ![]() |
| CAS编号 | 146960-90-9 |
| EINECS Number | 623-251-3 |
| MDL Number | MFCD09038820 |
| Beilstein Registry Number | |
| 别名 | 146960-90-9 [RN] Dicyclohexyl(cyclopentyl)phosphin -eisen (2:1) [German] [ACD/IUPAC Name] Dicyclohexyl(cyclopentyl)phosphine – fer (2:1) [French] [ACD/IUPAC Name] Dicyclohexyl(cyclopentyl)phosphine – iron (2:1) [ACD/IUPAC Name] MFCD09038820 [MDL number] Phosphine, dicyclohexylcyclopentyl-, iron salt (2:1) [ACD/Index Name] 1,1-Bis(Dicyclohexylphosphino)Ferrocene 1,1′-BIS(DICYCLOHEXYLPHOSPHINO)FERROCENE [ACD/IUPAC Name] dCypf |
| 分子式 | C34H44FeP2 |
| 分子量 | 570.52 |
| InChI | |
| InChI Key | |
| Canonical SMILES |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN104861001 | A ferrocene diphosphine ligand preparation method | 2017 |
Physical Data
| Appearance | Yellow solid |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | chloroform-d1 | 400 | |
| Chemical shifts, Spectrum | 31P | chloroform-d1 | 400 |
Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1,1’-Bis(dicyclohexylphosphino)ferrocene CAS 146960-90-9
| Conditions | Yield |
| In methanol; dichloromethane at 20℃; for 24h; Inert atmosphere; Reflux; | 75% |
| Experimental Procedure 4.2.6. [Au<sub>2</sub>(μ<sub>1</sub>-CN)<sub>2</sub>(k<sup>1</sup>-P,P-dcpf)] (6) 1,1′-Bis(dicyclohexylphosphino)ferrocene (dcpf) (0.578 g, 1.0 mmol) was added to a solution of gold(I) cyanide (0.223 g, 1.0 mmol) in 30 mL CH3OH:CH2Cl2 (50:50 V/V) mixture at room temperature. The resultant suspension was refluxed with stirring under nitrogen atmosphere for 24 h. Slowly, the colour of the solution changed from light yellowish orange to dark yellowish orange colour. The resulting solution was evaporated to dryness to give a yellowish orange solid which was then extracted with dichloromethane (20 mL). The addition of hexane (100 mL) to this solution led to yellow needle shaped diffraction quality crystals. These were separated and washed with hexane and dried. Yield: (0.768 g, 75 %). Anal. Calc. for C36H52N2P2Au2Fe: C, 42.19; H, 5.08; N,2.73. Found: C, 42.32; H, 5.32; N, 2.94. IR (cm-1, KBr): n 3401, 2930, 2850, 2360, 2340, 2151(CN), 1730, 1440, 1240, 1164, 1110, 1032, 868, 630, 490. 1H NMR (δ ppm, 400 MHz, CDCl3, 298 K), 4.40 (s, 4H, C5H4), 4.22 (s, 4H, C5H4), 2.71-1.22 (m, 44H, Cy). 31P{1H}: δ 41.6 (s) (Sharp). UV/Vis: λmax (ε [dm3 mol-1 cm-1]) 267 (10,727), 460 (23,595). ESI-MS (m/z): 1024.1 (M+). |
Safety and Hazards
No data available
Other Data
| Transportation | Store at 2-8°C for long time and protected with inert gas; Keep container tightly closed and away from light; Avoid contacting with water, oxidizing agents and high temperature. |
| HS Code | |
| Storage | Store at 2-8°C for long time and protected with inert gas; Keep container tightly closed and away from light; Avoid contacting with water, oxidizing agents and high temperature. |
| Shelf Life | 2 years |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 578.581 |
| logP | -0.047 |
| HBA | 0 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 27.18 |
| Rotatable Bond (RotB) | 6 |
| Matching Veber Rules | 2 |
| Bioactivity |
| In vitro: Efficacy |
| Quantitative Results |
| Toxicity/Safety Pharmacology |
| Quantitative Results |
| Use Pattern |
| 1,1’-Bis(dicyclohexylphosphino)ferrocene CAS#: 146960-90-9is used in Phosphorus ligand. |
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认证生产商 | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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