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CAS No. : | 1663-45-2 | MDL No. : | MFCD00003047 |
Formula : | C26H24P2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QFMZQPDHXULLKC-UHFFFAOYSA-N |
M.W : | 398.42 | Pubchem ID : | 74267 |
Synonyms : |
|
Num. heavy atoms : | 28 |
Num. arom. heavy atoms : | 24 |
Fraction Csp3 : | 0.08 |
Num. rotatable bonds : | 7 |
Num. H-bond acceptors : | 0.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 127.76 |
TPSA : | 27.18 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -4.56 cm/s |
Log Po/w (iLOGP) : | 4.39 |
Log Po/w (XLOGP3) : | 5.87 |
Log Po/w (WLOGP) : | 5.25 |
Log Po/w (MLOGP) : | 6.69 |
Log Po/w (SILICOS-IT) : | 8.15 |
Consensus Log Po/w : | 6.07 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -6.18 |
Solubility : | 0.000263 mg/ml ; 0.00000066 mol/l |
Class : | Poorly soluble |
Log S (Ali) : | -6.21 |
Solubility : | 0.000244 mg/ml ; 0.000000612 mol/l |
Class : | Poorly soluble |
Log S (SILICOS-IT) : | -10.9 |
Solubility : | 0.000000005 mg/ml ; 0.0 mol/l |
Class : | Insoluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 5.2 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95% | With acetic acid In water for 10 h; Heating | [1,2]-bis(diphenylphosphino)ethane nickel(II) chloride was obtained analogously to known procedure.15 The mixture of commercial NiCl2·2H2O (13.2 g, 0.08 mol) in 40 mL H2O with acetic acid (140 mL) was added to warm solution of 1,2-bis(diphenylphosphino)ethane (31.8 g, 0.08 mol) in acetic acid (570 mL) with stirring. Reaction mixture was allowed to stay for ten hours. Pink-brown crystals were filtered, washed with cold acetic acid and dried in vacuum. Yield: 40.1 g (95percent). Suspension of di-thallium-3,6-di-tert-butyl-catecholate prepared from o−quinone (0.044 g, 0.2 mmol) as it is described below in THF (10 mL), was added to [1,2-bis(diphenylphosphino)ethane]nickel(II) chloride (0.1 g, 0.2 mmol) in THF (40 mL) in evacuated ampoule. Reaction mixture was refluxed for one hour. Solvent was changed to the mixture toluene/CH2Cl2 (~10/1, 50 mL), the mixture was filtered; solution volume was reduced to one half. Dark green solid, formed after cooling, was filtered, washed with light petroleum and dried in vacuum. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
86% | palladium diacetate; In nitrogen; | EXAMPLE 1 3.56 g (20 mmol) of sodium p-toluenesulfinate, 3.42 g (20 mmol) of p-bromotoluene, 0.0225 g (0.1 mmol) of palladium acetate, 0.0478 g (0.12 mmol) of 1,2-bis(diphenylphosphino)-ethane, 6.73 g (120 mmol) of calcium oxide and 60 ml of N-methyl-2-pyrrolidone were placed in a 100 ml round bottom flask and reacted at 150 C. in a nitrogen gas stream for 8 hours. After the completion of the reaction, the reaction mixture was analyzed by means of high performance liquid chromatography. The analysis showed that 17.1 mmol (yield: 86%) of 4,4'-dimethylbiphenyl was formed in the reaction mixture solution. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
96% | In dichloromethane; toluene; for 6h;Inert atmosphere; | In a 100 mL two-necked round-bottomed flask, under inert atmosphere, 8 (0.49 g, 1.72 mmol) was dissolved in anhydrous DCM (20 mL). A solution of 1,2-bis(diphenylphosphino)ethane (0.72 g, 1.8 mmol) in anhydrous DCM (15 mL) was injected in the flask and the resulting mixture was stirred for 2 hours and concentrated in vacuum. The resulting solid was dispersed in anhydrous toluene (70 mL) and refluxed, under inert atmosphere, for 4 hours. The formed precipitate was filtered, washed with EtOH (2×6 mL) and dried in vacuum, affording the product as a pale-yellow solid (0.95 g, 1.65 mmol, 96% yield). 1H NMR (400 MHz): delta (CDCl3) 7.87 (8H, set of m), 7.54 (4H, set of m), 7.47 (8H, set of m), 2.44 (4H, set of m). 31P NMR (162 MHz): delta 63.68. Further spectroscopic data (13C, MS, IR) are in accordance with the literature.3 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With sodium tetrahydroborate; at 110℃; under 760.051 Torr; for 0.333333h;Microwave irradiation; Inert atmosphere; Green chemistry; | General procedure: The reactions were run in a CEM Corp. MARS microwave fitted with a fiber optic temperature probe and a port on top for a reflux condenser.1 mmol of Mo(CO)6 and dppe (0.425 g, 1.1 mmol) were combined with 20 mL of 1-propanol in a two-neck 100 mL RB flask. To this mixture was added NaBH4 (0.128 g, 3.3 mmol). The flaskwas placed in themicrowave and a reflux condenser attached through a hole in the top of the microwave. The mixture was sparged with nitrogen. The mixture was heated under nitrogen at 400 W for 1.5 min to reach reflux temperature. Once the reflux temperature was reached the microwave power was reduced and the temperature maintained for 18 min. The mixture was cooled to room temperature and 2-4 mL of water was added to the reaction to dissolve excess NaBH4 and promote product precipitation. The reaction was cooled -10 C for several hours. The light yellow complex was filtered in air and washed with 2×5 mL of petroleum ether/diethyl ether(1:1) mixture resulting in 580 mg of Mo(CO)4dppe after drying, a 95% yield. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | With sodium tetrahydroborate; In butan-1-ol; at 105℃; under 760.051 Torr; for 0.333333h;Microwave irradiation; Inert atmosphere; Green chemistry; | General procedure: The reactions were run in a CEM Corp. MARS microwave fitted with a fiber optic temperature probe and a port on top for a reflux condenser.1 mmol of Mo(CO)6 and dppe (0.425 g, 1.1 mmol) were combined with 20 mL of 1-propanol in a two-neck 100 mL RB flask. To this mixture was added NaBH4 (0.128 g, 3.3 mmol). The flaskwas placed in themicrowave and a reflux condenser attached through a hole in the top of the microwave. The mixture was sparged with nitrogen. The mixture was heated under nitrogen at 400 W for 1.5 min to reach reflux temperature. Once the reflux temperature was reached the microwave power was reduced and the temperature maintained for 18 min. The mixture was cooled to room temperature and 2-4 mL of water was added to the reaction to dissolve excess NaBH4 and promote product precipitation. The reaction was cooled -10 C for several hours. The light yellow complex was filtered in air and washed with 2×5 mL of petroleum ether/diethyl ether(1:1) mixture resulting in 580 mg of Mo(CO)4dppe after drying, a 95% yield. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In benzene-d6; at 60℃; for 0.0333333h;Inert atmosphere; Schlenk technique; | Ni(COD)2 (4.37 mg, 15.9 μmol) and dppe (15.4 mg, 38.6 μmol) were added to C6D6 (1 mL); 2 min heating at 60 C resulted in a yellow solution. 31P{1H} NMR: δ 44.0 (s) (literature value, 42.4 in toluene-d8 [4] ). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
93% | In dichloromethane; for 20.5h;Inert atmosphere; | In a 250 mL two-necked round-bottomed flask, under inert atmosphere, [PtCODCl2] (0.15 g, 0.4 mmol) was dissolved in anhydrous DCM (90 mL). A solution of 1,2-bis(diphenylphosphino)ethane (0.159 g, 0.4 mmol) in anhydrous DCM (60 mL) was injected in the flask during 2.5 hours and the resulting mixture was stirred for 18 hours and concentrated in vacuum. Anhydrous Et2O was added to the residue and the resulting precipitate was filtered, washed with EtOH (2×6 mL) and dried in vacuum, affording the product as a pale-yellow solid (0.247 g, 0.37 mmol, 93% yield). 1H NMR (300 MHz): delta (CD2Cl2) 7.96-7.83 (8H, m), 7.67-7.51 (12H, m), 2.53-2.26 (4H, m). 31P NMR (122 MHz): delta 41.95. Further spectroscopic data (13C, MS, IR) are in accordance with the literature.5 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
27% | In tetrahydrofuran; for 23h;Irradiation; Inert atmosphere; | General procedure: A solution of [(C5H5)Mn(CO)3] (I) and a slight molar excessof the phosphane in tetrahydrofuran (THF, 120 ml) was irradiatedfor 7 h under argon. The colours of the solutionschanged from yellow to red with concomitant gas evolution.After further stirring for 16 h, the solvent was evacuated andthe residue dissolved in diethyl ether (Et2O) and filteredthrough a plug of silica gel. The solvent was evaporated againand the residue dissolved in the minimum amount of petroleumether. This solution was placed on top of a silica gelchromatography column (alumina in the case of 3a) and theproducts were eluted with a petroleum ether/Et2O (9:1 v/v)mixture. Evaporation of the eluate yielded the products asyellow powders. Recrystallization from petroleum ether (with some added Et2O) by slow evaporation in a refrigerator at5 C yielded crystals of all three compounds. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90% | With hydrogenchloride; In ethanol; water; for 8h;Reflux; | General procedure: to a solution of the Bis(diphenylphosphino)ethane (dppe) (1 g, 2.5 mmol) in 20 ml ethanol was added to a stirred suspension of finely divided K2PdCl4 (0.81 g, 2.5 mmol) in 10 ml concentrated hydrochloric acid. The mixture were refluxed with stirring for eight hours and cooled to give precipitates of the product (1.6 g, 90%) (Scheme 2). 1H NMR (CDCl3): d (ppm) 7.3-7.8 (m, 20H, C6H5), 1.82 (m, 4H, CH2). 31P NMR (CDCl3): d (ppm) 66.7 (s, PPh2). Anal. Calc. for C26H24Cl2P2Pd: C, 54.24; H, 4.20, Found: C, 54.12; H, 4.11. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
91% | for 0.25h;Reflux; Inert atmosphere; Schlenk technique; | General procedure: 0.10 g (0.25 mmol) of rhenium precursor <strong>[14220-21-4]ReBr(CO)5</strong> were added toa 150 mL round-bottom flask fitted with a condenser and charged with70 mL of dry toluene, a magnetic stirrer and an equimolar amount ofthe corresponding diphosphine: Ph2P(CH2)nPPh2, n=1, 0.095 g;n=2, 0.098 g; n=3, 0.1 g. After 20 min (for dppm), 15 min (for dppe),and 10 min (for dppp) under reflux, the solvent was removed underreduced pressure leaving an off-white material which was washed withdry hexane (3×10 mL). Complex 5(a): Yield 0.171 g, 0.228 mmol (91.0%). m. p.230-232 C. Anal. Calcd for C29H24O3BrP2Re: C, 46.53; H, 3.23. Found:C, 46.45; H, 3.32%. νmax(KBr)/cm-1 2026s, 1945s, 1905s (CO).νmax(CH2Cl2)/cm-1 2031s, 1954s, 1907s (CO). 1H NMR (CDCl3,300 MHz): δ/ppm: 7.91-7.01 [m, Ho/m/p dppe]; 3.00-2.61 [m, CH2CH2(dppe)]. 13C-{1H} NMR (CDCl3, 75.6 MHz): δ/ppm: 143.32-136.52 [m,Ci, dppe], 134.14-127.46 [m, Co,m,p, dppe], 27.42-26.84 [m, CH2-CH2,dppe]. 31P-{1H} NMR (CDCl3, 121.7 MHz): δ/ppm: 29.07 [s, dppe]. MS(m/e): 748, [M-2CO]+, 692; [M-(Br)]+, 669. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66% | AgTFA (22mg, 0.1mmol) and dppe (20mg, 0.05mmol) were stirred in 6mL THF for an hour and then 4-PAH (15.0mg, 0.1mmol), neutralised in 4mL water by NaOH (aq.), was added dropwise. The mixture was stirred for another 1h before the white precipitate was filtered, washed and dried. The dried powder was dissolved in 8mL 1:1 mixture of water and acetonitrile. Diffraction quality single crystals were obtained by layering diethyl ether over it, Yield: 65%. 1H NMR (300MHz, d6-DMSO, 298K): deltaH=8.59 (d, Py-H), 7.74-7.67 (m, Ar-H, dppe), 7.61 (d, Py-H), 7.56-7.42 (m, Ar-H, dppe and CH=CH), 6.81 (d, CH=CH), ?2.6 (s, CH-CH, dppe). Anal. Calc. (without solvent): C, 55.54; H, 4.13; N, 4.42. Found: C, 55.44; H, 5.10; N, 3.75%. No solvent loss was observed in TGA experiment |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
94% | General procedure: All the complexes were prepared according to the following general procedure. In a solution of PdCl2 (0.5mmol) in 20mL of methanol, the appropriate amount of the respective solid diphosphine is added (0.5mmol). After stirring for 30min, 1mmol of the selected thiole, deprotonated with KOH in 20mL of methanol, is added and the reaction mixture is stirred for 48h under moderate heating (60C). The resulting solution is filtrated for the removal of any residual solids and the filtrate is left to stand in air after the addition of a small amount of a 1:1 mixture of CH2Cl2/CHCl3. Slow evaporation of the solvent gave the products in the form of crystals which were filtered off and dried under vacuum. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | In N,N-dimethyl-formamide; at 20℃; for 1.5h; | To a stirred solution of AgNO3 (0.0169 g, 0.1 mmol) in CH3CN/DMF, dppe (0.0199 g, 0.05 mmol) was added. The mixture wasstirred for 0.5 h and then Phterpy (0.0309 g, 0.1 mmol) was addedand was allowed to stir for 1 h at room temperature. The vapordiffusion of diethyl ether into the solution gave white prism crystals.The complex was obtained by filtration, washed with diethylether and dried in vacuo. Yield: 0.0418 g (60%). Anal. Calcd forC70H57Ag2N9O6P2, C, 60.14; H, 4.11; N, 9.02. Found: C, 59.07; H, 4.97;N, 9.43. IR (cm1): 3419 (br), 3057 (m), 1603 (m), 1583 (m), 1506(w), 1475 (m), 1436 (s), 1392 (s), 1307 (s), 1098 (m), 999 (m), (884)(m), 824 (m), 792 (s), 763 (s), 742(s), 693 (s), 508 (s). 1H-NMR(CD3SOCD3, 25 C, TMS): d 7.14e8.86 (50H, Phterpy PPh2). 31P{1H}eNMR (CD3SOCD3, 25 C, TMS): 6.15 ppm. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
65% | In dichloromethane;Inert atmosphere; | A solution of [1]PF6 (51mg, 0.10mmol), dppe (40mg, 0.10mmol), and [Et3NBn]Cl (23mg, 0.10mmol) in CH2Cl2 (2ml) was stirred overnight. The solvent was evaporated and the residue was extracted with Et2O (2×3ml). Yellow extract was evaporated and the residue was washed with cold pentane (2ml) to give 3b (42mg, 0.063mmol, 65% yield) as bright yellow solid. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
61% | In methanol; dichloromethane; at 20℃; for 6h; | General procedure: AgNO3 (0.2 mmol, 0.0339 g) was dissolved in a stirringmethanol solution (5 mL) of dppm (0.2 mmol, 0.0769 g), adding adichloromethane solution (5 mL) of phen (0.2 mmol, 0.0361 g) intothe reaction at ambient temperature. After 6 h, the mixturesolution was filtered and transferred to a beaker. Crystals of 1were obtained by slow evaporation over a week. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
0.86 g | In toluene; at 100℃; for 2h;Glovebox; Inert atmosphere; Sealed tube; | In a nitrogen-purged glove box, 1,2-bis(diphenylphosphino)ethane (1.1 g, 2.76 mmol) was combined with pyrazole (0.19 g, 2.79 mmol) in a glass jar, equipped with a PTFE-coated stir bar, followed by the addition of toluene (30 mL). Stirring was initiated, and a solution of <strong>[75732-01-3]<strong>[75732-01-3]mesitylcopper</strong>(I)</strong> (0.49 g, 2.68 mmol), in toluene (about 5 mL), was then added. The jar was capped, and the resulting solution was stirred at 100C for 2 hours. The mixture was then cooled to room temperature. Hexanes (-30 mL) were added, and all volatiles were removed in vacuo. The residue was suspended in hexanes (20 mL), and the solid was collected by filtration. The solid was dried under vacuum, to afford an off white solid (0.86 g). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95.7% | Step 1, to 10. 0g sponge palladium by adding aqua regia (concentrated hydrochloric acid and concentrated nitric acid in accordance with the volume ratio of 3: 1 mixture After the complete dissolution of the spongy palladium, the concentrated solution of hydrochloric acid in a concentration of 37% by mass is dropped into the dissolved solution until the brown oxynitride is stopped. The solution is filtered and the filtrate obtained is concentrated to a palladium concentration of (Diphenylphosphino)ethane was added to 300 mL of N, N-dimethylformamide and heated to 60 [deg.] C. N,N-dimethylformamide solution of bis (diphenylphosphino) alkane in Step 2; Step C: N-dimethylformamide solution is added dropwise to the chloropalladic acid solution described in the step 1. After the completion of the dropwise addition, the mixture is reacted at a temperature of 60 C under stirring for 90 minutes, and the reaction solution is cooled and filtered to obtain a cake; 0019] Step 4, washing the filter cake in step 3 with absolute ethanol, vacuum drying the washed filter cake under the condition of temperature of 60 C and vacuum degree of 0.08MPa for 2 hours to obtain milky white powder 1, (Diphenylphosphine) ethane palladium dichloride complex (C26H24Cl2P2Pd) 51. 8g, yield 95.7%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
74% | In tetrahydrofuran; acetonitrile; at 20℃; | A mixture of AgBr (38mg, 0.20 mmol), [Et4N]Br (21mg,0.10mmol), and dppe (40mg, 0.10mmol) was dissolved in30mL THF-MeCN (2:1) and stirred for 12h at room temperature.The resulting colorless solution was filtered. Colorlessblock crystals of [Et4N][Ag2(mu-Br)3(mu-dppe)]·0.5C6H14}n(3·0.5C6H14) were obtained by layering diethyl ether onthe top of the filtrate at room temperature. Yield: 73mg,74%. - IR (KBr, cm-1): (C-N) 1104 (s), 998 (m), (P-C) 522(s), 514 (s), 499 (m). - 31P NMR (121.5MHz, [D6]DMSO):=2.15 (br) ppm. - MS (FAB): m/z=851 [Ag2(dppe)Br3]+,772 [Ag2(dppe)Br2]+, 693 [Ag2(dppe)Br]+, 614 [Ag2(dppe)]+. -Anal. for C32H44NP2Br3Ag2·0.5(C6H14): calcd. C 41.90, H 5.12,N 1.40; found C 42.12, H 5.05, N 1.35%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
79% | In tetrahydrofuran; acetonitrile; at 20℃; for 12h; | A mixture of AgCl (29mg, 0.20 mmol), [Et4N]Cl (33mg,0.20mmol), and dppe (40mg, 0.10mmol) was dissolvedin 30mL THF-MeCN (2:1) and stirred for 12h at room temperature.The resulting colorless solution was filtered.Colorless block crystals of [Et4N]2[(AgCl2)2(mu-dppe)] (4)were obtained by layering diethyl ether on the top of thefiltrate at room temperature. Yield: 81mg, 79%. - IR (KBr,cm-1): (C-N) 1101 (s), 993 (m), (P-C) 523 (s), 512 (s), 495(m). - 31P NMR (121.5MHz, [D6]DMSO): =3.03 (br) ppm. -MS (FAB): m/z=754 [(AgCl2)2(dppe)]+, 719 [Ag2(dppe)Cl3]+,684 [Ag2(dppe)Cl2]+, 649 [Ag2(dppe)Cl]+, 614 [Ag2(dppe)]+.- Anal. for C42H64N2P2Cl4Ag2: calcd. C 49.63, H 6.34, N 2.76;found C 50.03, H 6.27, N 2.73%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
81% | In acetone; for 1h;Inert atmosphere; | 0.1624 g (0.4076 mmol) of 1,2-bis(diphenylphosphine)ethane, 0.1671 g (1.159 mmol) of dmfu and 0.2002 g (0.1934 mmol) of [Pd2(DBA)3*CHCl3] were dissolved under inert atmosphere (Ar) in 30 ml of anhydrous acetone and vigorously stirred for 60 min. Owing to the progressive dissolution of [Pd2(DBA)3*CHCl3], the violet color of the mixture gradually disappeared and the concomitant precipitation of the scarcely soluble pale yellow complex 1j was observed. The solution was dried under vacuum, the residue dissolved in CH2Cl2, treated with activated charcoal and filtered on a celite filter. The clear pale yellow solution was concentrated under vacuum and the title complex precipitated by slow addition of diethylether. Complex 1j was filtered off on a gooch, washed with diethylether and dried under vacuum. 0.2027 g (yield 81percent) of the title complex 1j as a pale yellow solid was obtained. 1H NMR (300 MHz, CDCl3, T = 298 K, ppm) delta: 2.11-2.61 (m, 4H, CH2P), 3.40 (s, 3H, OCH3), 4.33-4.42 (m, 2H, CH=CH), 7.32-7.53 (m, 16H, PPh), 7.79-7.85 (m, 4H, PPh). 13C{1H} NMR (CDCl3, T = 298 K, ppm selected peaks) delta: 26.7 (m CH2, CH2P), 50.5 (CH3, OCH3), 52.9 (m, CH, CH=CH), 173.7 (C, CO). 31P{1H} NMR (CD2Cl2, T = 298 K, ppm) delta: 39.0. IR (KBr, pellet, cm-1): 1683 (nCO). Anal. Calcd. for C32H32O4P2Pd: C 59.22, H 4.97. Found: C 59.11, H 5.03. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
86% | With sodium hydroxide; In benzene; at 100℃; for 24h;Inert atmosphere; | A 50 ml three-necked flask equipped with a stirring reflux device was charged with 1 mmol of 2-diphenylphosphineaniline,1.5 mmol of m-ethoxybenzyl alcohol, 1 mmol of bis (diphenylphosphinoethane), 1 mmol of RuCl2 (PPh3) 3, 1.5 mmol of sodium hydroxide and 20 ml of benzene at a temperature of 100 C for 24 h under a nitrogen atmosphere,After cooling and filtering, the obtained solid was recrystallized from a mixed solvent of CH 2 Cl 2 and petroleum ether to give product 4 in a yield of 86%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
51% | In toluene; at 160℃; for 48.0h; | A mixture of <strong>[14285-68-8]Re2(CO)10</strong> (100 mg, 0.1533 mmol), H2PBI (64.8 mg,0.3092 mmol), dppe (488.7 mg, 1.2269 mmol), and toluene (10 mL)in a Teflon flask was placed in a steel bomb. The bomb was kept inan oven maintained at 160 C for 48 h and then cooled to 30 C.Good quality crystals were obtained. Yield: 51% (90.8 mg). 1H NMR(500 MHz, DMSO-d6): d 8.08e8.06 (dd, JHH 7.65 Hz, JHH 7.65 Hz,1H, H6'), 7.43e7.37 (m, 11H, H4, -Phenyl), 7.27e7.24 (t, JHH 7.6 Hz,16H, H7, - Phenyl), 7.02 (s, 16H, H4', -Phenyl), 6.84e6.82 (q, 2H, H6,5),6.713e6.711 (dd, JHH 8.05 Hz, JHH 8.15 Hz 1H, H3'), 6.70e6.65 (m,1H, H5') and 2.80e2.77 (t, 8H, -CH2-). 31P NMR (500 MHz,DMSO-d6): d 25.57 (S, 4P, P14). ESI (HR-MS). Calcd. forC67H59N2O3P4Re2 [M]: m/z 1249.2955. Found: m/z 1249.2052. FTIR(ATR, cm1): 1903 (s). |
Tags: 1663-45-2 synthesis path| 1663-45-2 SDS| 1663-45-2 COA| 1663-45-2 purity| 1663-45-2 application| 1663-45-2 NMR| 1663-45-2 COA| 1663-45-2 structure
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P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
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