(+/-)-2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl CAS#: 98327-87-8; ChemWhat Code: 38797
Identification
| Product Name | (+/-)-2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl |
| IUPAC Name | [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane |
| Molecular Structure |  |
| CAS Registry Number | 98327-87-8 |
| EINECS Number | No data available |
| MDL Number | MFCD00010805 |
| Beilstein Registry Number | 5321443 |
| Synonyms | CAS NO.: 98327-87-8;(R)-(+)-2,2′-bis(diphenylphosphino)-1,1′-binaphthyl(R)-BINAP(R)-(+)-2,2′-bis(diphenylphosphino)-1,1′-binaphthalene |
| Molecular Formula | C44H32P2 |
| Molecular Weight | 622.67 |
| InChI | InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H |
| InChI Key | MUALRAIOVNYAIW-UHFFFAOYSA-N |
| Canonical SMILES | c1ccc(cc1)P(c2ccccc2)c3ccc4ccccc4c3c5c6ccccc6ccc5P(c7ccccc7)c8ccccc8 |
| Patent Information |
| No data available |
Physical Data
| Appearance | White or off-white solid |
| Solubility | Soluble in tetrahydrofuran, benzene and dichloromethane. Slightly soluble in ether, methanol and ethanol. Insoluble in water. |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | Air Sensitive |
| Melting Point, °C |
| 283 °C~286 °C |
Spectra
| No data available |
Route of Synthesis (ROS)
| Conditions | Yield |
| In toluene at 110℃; for 2h; Experimental Procedure 27 Example 27: Synthesis of RuCI<sub>2</sub>(CO)((R)-BINAP)(PPh<sub>3</sub>) (30) The complex RuCI2(CO)(dmf)(PPh3)2 (299.7 mg, 0.38 mmol, 1 equiv) suspended in 5 mL of toluene, was reacted with the ligand (R)-BINAP (239.8 mg, 0.39 mmol, 1 equiv). After stirring at 110 °C 2 h, the obtained solution was concentrated to about 1 mL. The complex was precipitated by addition of 10 mL n-heptane, filtered, washed 3 times with 4 mL of n-heptane, 3 times with 3 mL of ethyl ether and dried under reduced pressure. Yield: 359.7 mg (87%). Anal. Calcd (%) for C63H47Cl2OP3Ru: C, 69.68; H, 4.37; Found: C, 69.80; H, 4.10. IR (cm -1): 1981 | 87% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (85.71%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (85.71%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (71.43%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H413 (14.29%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 622.686 |
| logP | 14.336 |
| HBA | 0 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 27.18 |
| Rotatable Bond (RotB) | 7 |
| Matching Veber Rules | 2 |
| Use Pattern |
| (+/-)-2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl CAS#: 98327-87-8 used as phosphorus ligand. |
| (+/-)-2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl CAS#: 98327-87-8 used as Catalyst ligand. |
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