1,1’-Bis(dicyclohexylphosphino)ferrocene CAS#: 146960-90-9; ChemWhat Code: 1411349

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data


Product Name1,1’-Bis(dicyclohexylphosphino)ferrocene
Molecular Structurestructure of 1,1’-Bis(dicyclohexylphosphino)ferrocene CAS 146960-90-9
CAS Registry Number 146960-90-9
EINECS Number623-251-3
MDL NumberMFCD09038820
Beilstein Registry Number
Synonyms146960-90-9 [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]
Molecular FormulaC34H44FeP2
Molecular Weight570.52
InChI Key
Canonical SMILES
Patent Information
Patent IDTitlePublication Date
CN104861001A ferrocene diphosphine ligand preparation method2017

Physical Data

AppearanceYellow solid


Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Chemical shifts1Hchloroform-d1400
Chemical shifts, Spectrum31Pchloroform-d1400

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1,1’-Bis(dicyclohexylphosphino)ferrocene CAS 146960-90-9

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

TransportationStore 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
StorageStore 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 Life2 years
Market Price
Lipinski rules component
Molecular Weight578.581
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)27.18
Rotatable Bond (RotB)6
Matching Veber Rules2
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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