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Cas Database |
| Name |
Bis(tri-tert-butylphosphine)palladium(0) |
EINECS | 640-284-9 |
| CAS No. | 53199-31-8 | Density | N/A |
| PSA | 27.18000 | LogP | 9.72760 |
| Solubility | insoluble in water | Melting Point |
>300 °C |
| Formula | C24H54P2Pd | Boiling Point | 229.4 °C at 760 mmHg |
| Molecular Weight | 511.06 | Flash Point | 94.6 °C |
| Transport Information | N/A | Appearance | Off white crystalline solid |
| Safety | 24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Bis(tri-tert-butylphosphine)palladium;Bis[tris(tert-butyl)phosphine]palladium;bis[tris(1,1-dimethylethyl)phosphine]palladium;palladium - tri-tert-butylphosphane (1:2);Phosphine, tris(1,1-dimethylethyl)-, palladium salt (2:1); |
Article Data | 29 |
Bis(tri-tert-butylphosphine)palladium(0) Synthetic route
- 13716-12-6
tri-tert-butyl phosphine
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
| Conditions | Yield |
|---|---|
| In acetonitrile for 18h; Inert atmosphere; Glovebox; | 97% |
| In acetonitrile Inert atmosphere; Glovebox; |
- 13716-12-6
tri-tert-butyl phosphine
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide under Ar; mixt. stirred for 3 h at room temp.; ppt. filtered; washed (DMF); dissolved (hexane); soln. filtered and concd.; | 83% |
- 12145-47-0
cis-dibromo-(cyclooctadiene)palladium(II)
- 13716-12-6
tri-tert-butyl phosphine
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
| Conditions | Yield |
|---|---|
| In methanol; toluene at 20℃; for 2.66667h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube; | 83% |
- 52522-40-4
tris(dibenzylideneacetone)dipalladium(0) chloroform complex
- 131274-22-1
tri tert-butylphosphoniumtetrafluoroborate
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
| Conditions | Yield |
|---|---|
| With sodium methylate; dimethyl sulfoxide In methanol at 50℃; for 15h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; | 80% |
- 13716-12-6
tri-tert-butyl phosphine
- 959930-22-4
(C6H5PdP(C(CH3)3)3OC6H4OCH3)2
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
| Conditions | Yield |
|---|---|
| In (2)H8-toluene byproducts: C6H5OC6H4OCH3-p; reaction of palladium complex with phosphine in toluene-d8 at 70°C; | 79% |
- 176780-03-3, 164927-39-3
(P(o-tol)3)2Pd2(C6H4tBu-4)2Br2
- 13716-12-6
tri-tert-butyl phosphine
A
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
B
- 3972-65-4
1-bromo-4-tert-butylbenzene
| Conditions | Yield |
|---|---|
| In benzene-d6 byproducts: P(o-tol)3, biaryl, arene; in C6D6 soln. at 70°C; K(eq) = 3.3(6)E-4; | A n/a B 75% |
- 52409-22-0, 51364-51-3
tris-(dibenzylideneacetone)dipalladium(0)
- 13716-12-6
tri-tert-butyl phosphine
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 20℃; for 23h; Inert atmosphere; Glovebox; | 72% |
| In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; |
- 12145-47-0
cis-dibromo-(cyclooctadiene)palladium(II)
- 13716-12-6
tri-tert-butyl phosphine
A
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
B
- 185812-86-6
di-μ-bromobis-(tritert-butylphosphine)dipalladium(I)
| Conditions | Yield |
|---|---|
| In toluene at 20℃; for 2h; Inert atmosphere; Schlenk technique; | A 71% B n/a |
| In methanol; toluene at 20℃; for 2.66667h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube; Overall yield = 220 mg; | A 15 %Spectr. B 85 %Spectr. |
- 330783-81-8, 330979-64-1
((CH3C6H4)3PC6H3(C4H9)CH3PdCl)2
- 13716-12-6
tri-tert-butyl phosphine
A
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
B
- 42597-10-4
4-tert-butyl-2-chloro-1-methylbenzene
| Conditions | Yield |
|---|---|
| In benzene-d6 byproducts: P(o-tol)3, biaryl, arene; in C6D6 soln. at 70°C; NMR spectroscopy; K(eq) = 9(3)E-2; | A n/a B 70% |
- 330783-82-9, 330979-75-4
((CH3C6H4)3PC6H3(C4H9)CH3PdBr)2
- 13716-12-6
tri-tert-butyl phosphine
A
- 53199-31-8
bis(tri-t-butylphosphine)palladium(0)
B
- 61024-94-0
2-bromo-4-tert-butyl-1-methylbenzene
| Conditions | Yield |
|---|---|
| In benzene-d6 byproducts: P(o-tol)3, biaryl, arene; in C6D6 soln. at 70°C; NMR spectroscopy; K(eq) = 2.3(3)E-3; | A n/a B 70% |
| In benzene-d6 Kinetics; byproducts: P(o-tol)3, biaryl, arene; in C6D6 soln. at 55°C; concn. of P(t-Bu)3: 0.10-0.84 M; concn. of(P(o-tol)3): 0.030-0.35 M; concn. of Pd-contg. compd.: 5.2-21 mM; (1)H NMR spectroscopy; |
Bis(tri-tert-butylphosphine)palladium(0) Specification
The Bis(tri-tert-butylphosphine)palladium(0), with the CAS registry number 53199-31-8, has the systematic name of palladium - tri-tert-butylphosphane (1:2). It is a kind of light, air and moisture sensitive, and belongs to the following product categories: Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Metal Complexes; Pd (Palladium) Compounds; Synthetic Organic Chemistry; Transition Metal Compounds; Catalysis and Inorganic Chemistry; Homogeneous Pd Catalysts; Palladium. And the molecular formula of the chemical is C24H54P2Pd.
The characteristics of Bis(tri-tert-butylphosphine)palladium(0) are as followings: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 1555.62; (6)ACD/BCF (pH 7.4): 1555.62; (7)ACD/KOC (pH 5.5): 6704.43; (8)ACD/KOC (pH 7.4): 6704.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å2; (13)Flash Point: 94.6 °C; (14)Enthalpy of Vaporization: 44.71 kJ/mol; (15)Boiling Point: 229.4 °C at 760 mmHg; (16)Vapour Pressure: 0.105 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you should avoid contacting with skin and eyes.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Pd].P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.P(C(C)(C)C)(C(C)(C)C)C(C)(C)C
(2InChI: InChI=1/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;/h2*1-9H3
(3)InChIKey: MXQOYLRVSVOCQT-UHFFFAOYAH
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