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CAS No.: | 31277-98-2 |
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Name: | Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C52H48P4Pd |
Molecular Weight: | 903.268 |
Synonyms: | Palladium,bis[1,2-ethanediylbis[diphenylphosphine-kP]]-, (T-4)- (9CI);Palladium, bis[1,2-ethanediylbis[diphenylphosphine]-P,P']-,(T-4)-;Palladium, bis[ethylenebis[diphenylphosphine]]- (7CI,8CI);Bis[1,2-(diphenylphosphino)ethane]palladium;Bis[1,2-bis(diphenylphosphino)ethane]palladium;Bis[1,2-bis(diphenylphosphino)ethane]palladium(II);Bis[ethylenebis[diphenylphosphine]]palladium;Pd(dppe)2; |
EINECS: | 625-554-6 |
Melting Point: | 219-225 °C |
Boiling Point: | 514.8 °C at 760 mmHg |
Flash Point: | 281.7 °C |
Solubility: | insoluble in water |
Appearance: | yellow to orange crystalline powder |
Hazard Symbols: | Xi, Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 36-37/39-26 |
Transport Information: | UN 1479 |
PSA: | 54.36000 |
LogP: | 10.50440 |
1,2-bis-(diphenylphosphino)ethane
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
Conditions | Yield |
---|---|
In not given | 99% |
1,2-bis-(diphenylphosphino)ethane
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
Conditions | Yield |
---|---|
With n-Bu4NF*3H2O In dimethyl sulfoxide byproducts: {Pd(dppe)2}(2+), Ph2P(O)CH2CH2PPh2, Ph2PCH2CH2PF2Ph2; heating a mixt. of PdCl2 and dppe in DMSO under Ar (140°C), addn. of a soln. of n-Bu4NF*3H2O in DMSO, cooling (room temp.), stirring, pptn.; addn. of ethanol, complete pptn., further stirring (30 min), filtration, rinsing (ethanol, 2 times; Et2O), drying (vac.); detn. of by-products by 31P-NMR from the filtrate; | 91% |
With PPh3; n-Bu4NF*3H2O In dimethyl sulfoxide byproducts: Ph2P(O)CH2CH2PPh2, Ph2PCH2CH2PF2Ph2; heating a mixt. of PdCl2, dppe and PPh3 in DMSO under Ar (130°C), addn. of a soln. pf n-Bu4NF*3H2O yielding a yellow soln., cooling (room temp.), pptn., addn. of ethanol to complete the pptn.; filtration, washing (ethanol), drying (vac.); detn. of by-products before addn. of ethanol by 31P-NMR; | 73% |
1,2-bis-(diphenylphosphino)ethane
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
Conditions | Yield |
---|---|
In acetone react. of Pd10(CO)14(P(C4H9)3)4 with (C6H5)2PC2H4P(C6H5)2 (molar ratio 1:40);; elem. anal.;; | 91% |
tris(dibenzylideneacetone)dipalladium(0) chloroform complex
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
Conditions | Yield |
---|---|
With 1,2-bis-(diphenylphosphino)ethane In benzene addn. of bis(diphenylphosphino)ethane to a stirred soln. of Pd2(CO(CHCHC6H5)2)3CHCl3 in degassed benzene under dry N2; stirring for 1 h;; removal of solvent in vac.; treatment with ice-cold degassed acetone; filtration; washed with cold acetone; drying;; | 76% |
(1,2-bis(diphenylphosphino)ethane)palladium(II) chloride
1,2-bis-(diphenylphosphino)ethane
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
Conditions | Yield |
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With KF; 18-crown-6 In tetrahydrofuran; pyridine byproducts: Ph2PCH2CH2P(O)Ph2, Ph2PCH2CH2PF2Ph2; heating a suspn. of (dppe)PdCl2, dppe, anhyd. KF and 18-crown-6 in pyridine/THF under Ar (100°C, 2 h); not separated and isolated; 65 % yield of the difluorophosphorane product of the total oxidn. products; detn. by 31P-NMR; |
{Pd(1,2-bis(diphenylphosphanyl)ethane)(C2H4)}
1,3-bis-(diphenylphosphino)propane
A
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
B
bis-[1,3-(diphenylphosphino)propane]palladium(0)
C
{Pd(C2H4)(1,3-bis(diphenylphosphino)propane)}
Conditions | Yield |
---|---|
In tetrahydrofuran under N2, react. at room temp.; not isolated, identified by (31)P-NMR; |
Pd(dppe)(o-MeOC6H4)(I)
(+/-)-methylphenylphosphane borane
4-iodoanisol
A
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
B
(R(P))-(o-anisyl)(methyl)(phenyl)phosphine-P-borane
[PdI2(1,2-bis(diphenylphosphino)ethane)]
Conditions | Yield |
---|---|
With NaOSiMe3 In tetrahydrofuran; tetrahydrofuran-d8 under N2; at room temp.; PH(Me)(Ph)(BH3) and o-AnI added to soln. of Pd(dppe)(o-An)(I) in THF; NaOSiMe3 in THF added; soln. mixed; THF-d8 added;react. monitored by 31P NMR for 48 h; not isolated; |
tetrakis(triphenylphosphine) palladium(0)
1,2-bis-(diphenylphosphino)ethane
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
Conditions | Yield |
---|---|
In tetrahydrofuran dppe:Pd(PPh3)4 1.05:1; reflux; not sepd.; |
A
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
Conditions | Yield |
---|---|
In acetonitrile disproportionation of neutral complex (generated electrochemically in voltammetric pulse) in absence of excess acac(1-) at 25°C, nitrogen atmosphere; potentiodynamic (voltammetric) monitoring; |
Pd(η3-methallyl)(acetylacetonato)palladium
1,2-bis-(diphenylphosphino)ethane
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
Conditions | Yield |
---|---|
In dichloromethane Kinetics; byproducts: CH2CH(CH3)CH2CH(COCH3)2; N2, room temp.; N2 satd. soln. of complex filled in quartz cell; addn. of Ph2PC2H4PPh2 soln.; various initial concentrations caused various yields; not isolated; followed course by UV spectroscopy; | |
In tetrahydrofuran Kinetics; byproducts: CH2CH(CH3)CH2CH(COCH3)2; N2, room temp.; N2 satd. soln. of complex filled in quartz cell; addn. of Ph2PC2H4PPh2 soln.; various initial concentrations caused various yields; not isolated; followed course by UV spectroscopy; | |
In benzene Kinetics; byproducts: CH2CH(CH3)CH2CH(COCH3)2; N2, room temp.; N2 satd. soln. of complex filled in quartz cell; addn. of Ph2PC2H4PPh2 soln.; various initial concentrations caused various yields; not isolated; reaction to rapid to be followed by UV spectroscopy; |
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The cas register number of Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) is 31277-98-2. It also can be called as Palladium,bis[1,1'-(1,2-ethanediyl)bis[1,1-diphenylphosphine-kP]]-, (T-4)- and the Systematic name about this chemical is ethane-1,2-diylbis(diphenylphosphane) - palladium (2:1). It belongs to the following product categories, such as Catalysts for Organic Synthesis, Classes of Metal Compounds, Homogeneous Catalysts, Metal Complexes, Pd (Palladium) Compounds, Synthetic Organic Chemistry, Transition Metal Compounds and so on.
Physical properties about Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) are: (1)ACD/LogP: 8.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.74; (4)ACD/LogD (pH 7.4): 8.74; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1347062.88; (8)ACD/KOC (pH 7.4): 1347062.88; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 27.18Å2; (11)Flash Point: 281.7 °C; (12)Enthalpy of Vaporization: 75.68 kJ/mol; (13)Boiling Point: 514.8 °C at 760 mmHg; (14)Vapour Pressure: 3.38E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Pd].P(c1ccccc1)(c2ccccc2)CCP(c3ccccc3)c4ccccc4.c1ccccc1P(c2ccccc2)CCP(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/2C26H24P2.Pd/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h2*1-20H,21-22H2;
(3)InChIKey: FAFGMAGIYHHRKN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/2C26H24P2.Pd/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h2*1-20H,21-22H2;
(5)Std. InChIKey: FAFGMAGIYHHRKN-UHFFFAOYSA-N