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Name	Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)	EINECS	625-554-6
CAS No.	31277-98-2	Density	N/A
PSA	54.36000	LogP	10.50440
Solubility	insoluble in water	Melting Point	219-225 °C
Formula	C₅₂H₄₈P₄Pd	Boiling Point	514.8 °C at 760 mmHg
Molecular Weight	903.268	Flash Point	281.7 °C
Transport Information	UN 1479	Appearance	yellow to orange crystalline powder
Safety	36-37/39-26	Risk Codes	20/21/22-36/37/38
Molecular Structure		Hazard Symbols	Xi, Xn
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;	Article Data	19

Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) Synthetic route

: [Pd2(C5(CH3)5Ga)2(μ2-C5(CH3)5Ga)3]

: 1663-45-2
1,2-bis-(diphenylphosphino)ethane

: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

Conditions

Conditions	Yield
In not given	99%

: 1663-45-2
1,2-bis-(diphenylphosphino)ethane

: palladium dichloride

: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

Conditions

Conditions	Yield
With n-Bu4NF3H2O 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-Bu4NF3H2O 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-Bu4NF3H2O 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-Bu4NF3H2O 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%

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%

: Pd10(CO)14(P(C4H9)3)4

: 1663-45-2
1,2-bis-(diphenylphosphino)ethane

: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

Conditions

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%

: 52522-40-4
tris(dibenzylideneacetone)dipalladium(0) chloroform complex

: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

Conditions

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%

: 19978-61-1
(1,2-bis(diphenylphosphino)ethane)palladium(II) chloride

: 1663-45-2
1,2-bis-(diphenylphosphino)ethane

: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

Conditions

Conditions	Yield
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;

: 94929-16-5
{Pd(1,2-bis(diphenylphosphanyl)ethane)(C2H4)}

: 6737-42-4
1,3-bis-(diphenylphosphino)propane

A: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

B: 31989-49-8
bis-[1,3-(diphenylphosphino)propane]palladium(0)

C: 149478-10-4
{Pd(C2H4)(1,3-bis(diphenylphosphino)propane)}

Conditions

Conditions	Yield
In tetrahydrofuran under N2, react. at room temp.; not isolated, identified by (31)P-NMR;

: 586945-04-2
Pd(dppe)(o-MeOC6H4)(I)

: 501381-03-9, 119186-75-3, 136172-50-4
(+/-)-methylphenylphosphane borane

: 529-28-2
4-iodoanisol

A: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

B: 129212-59-5, 97764-41-5, 97858-63-4
(R(P))-(o-anisyl)(methyl)(phenyl)phosphine-P-borane

: 19998-21-1
[PdI2(1,2-bis(diphenylphosphino)ethane)]

Conditions

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;

...Expand

: 14221-01-3
tetrakis(triphenylphosphine) palladium(0)

: 1663-45-2
1,2-bis-(diphenylphosphino)ethane

: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

Conditions

Conditions	Yield
In tetrahydrofuran dppe:Pd(PPh3)4 1.05:1; reflux; not sepd.;

: Pd(1,2-bis(diphenylphosphino)ethane)(acetylacetonate)

A: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

: bis(acetylacetonato)palladium(II)

Conditions

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;

: 32660-97-2
Pd(η3-methallyl)(acetylacetonato)palladium

: 1663-45-2
1,2-bis-(diphenylphosphino)ethane

: 31277-98-2
bis[1,2-bis(diphenylphosphino)ethane]palladium(0)

Conditions

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;

Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) Specification

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

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