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CAS No.: | 59831-02-6 |
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Name: | DICHLORO[1,3-BIS(DIPHENYLPHOSPHINO)PROPANE]PALLADIUM(II) |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C27H26Cl2P2Pd |
Molecular Weight: | 589.777 |
Synonyms: | Palladium,dichloro[1,3-propanediylbis[diphenylphosphine-kP]]-, (SP-4-2)- (9CI);Palladium, dichloro[1,3-propanediylbis[diphenylphosphine]-P,P']-, (SP-4-2)-;Phosphine, 1,3-propanediylbis[diphenyl-, palladium complex;(Diphenylphosphinopropane)dichloropalladium;1,3-Propylenebis(diphenylphosphine)palladium dichloride;Dichloro[1,3-bis(diphenylphosphino)propane]palladium;Diphenylphosphinopropane palladium(II) chloride;[1,3-Bis(diphenylphosphino)propane]dichloropalladium;[1,3-Bis(diphenylphosphino)propane]palladium dichloride; |
EINECS: | 627-387-4 |
Boiling Point: | 529.7 °C at 760 mmHg |
Flash Point: | 291.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 26-36/37/39-36/37 |
PSA: | 27.18000 |
LogP: | -0.34970 |
hydrogenchloride
1,3-bis-(diphenylphosphino)propane
palladium
bis(diphenylphosphino)propanepalladium(II) dichloride
Conditions | Yield |
---|---|
Stage #1: hydrogenchloride; palladium With nitric acid In water Stage #2: 1,3-bis-(diphenylphosphino)propane In water; N,N-dimethyl-formamide at 50℃; for 1h; | 98.1% |
1,3-bis-(diphenylphosphino)propane
bis(diphenylphosphino)propanepalladium(II) dichloride
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; dichloromethane for 3h; Reflux; | 94% |
dichloro bis(acetonitrile) palladium(II)
1,3-bis-(diphenylphosphino)propane
bis(diphenylphosphino)propanepalladium(II) dichloride
Conditions | Yield |
---|---|
In benzene at 80℃; for 24h; Schlenk technique; Inert atmosphere; | 94% |
In benzene at 110℃; for 48h; Schlenk technique; Inert atmosphere; |
silver tetrafluoroborate
[PdCl(CH3)(bis(diphenylphosphino)propane)]
benzylidene phenylamine
bis(diphenylphosphino)propanepalladium(II) dichloride
Conditions | Yield |
---|---|
In dichloromethane; acetonitrile byproducts: AgCl; stirring (15 min); filtration, solvent removal, drying (reduced pressure, 1 d); | A 9% B 91% |
1,3-bis-(diphenylphosphino)propane
bis(diphenylphosphino)propanepalladium(II) dichloride
Conditions | Yield |
---|---|
In tetrahydrofuran; ethanol stirring for 2 h; evapn., washing with H2O, drying at 80°C for 12 h; | 88% |
dichloro(norbornadiene)palladium(II)
1,3-bis-(diphenylphosphino)propane
bis(diphenylphosphino)propanepalladium(II) dichloride
Conditions | Yield |
---|---|
In methanol at 30℃; for 3h; | 88% |
carbon monoxide
bis(diphenylphosphino)propanepalladium(II) dichloride
Pd(OC(CH3)N(C6H5)CHC6H5)(C27H26P2)(1+)*BF4(1-) = [Pd(OC(CH3)N(C6H5)CHC6H5)(C27H26P2)]BF4
Conditions | Yield |
---|---|
In chloroform-d1 Parr bomb (3.4 atm CO, room temp., 1 d); removal of excess CO, filtration to remove any metallic Pd; | A n/a B 83% |
hydrogenchloride
1,3-bis-(diphenylphosphino)propane
palladium diacetate
bis(diphenylphosphino)propanepalladium(II) dichloride
Conditions | Yield |
---|---|
In diethyl ether byproducts: CH3COOH; (Ar), mixed, stirred for 10 min, mixed with DPPPr dropwize with stirring, pptd., stirred for 1 h; filtered, washed with dry ethylether, dried in vac.; | 76% |
bis(benzonitrile)palladium(II) dichloride
bis(diphenylphosphino)propanepalladium(II) dichloride
Conditions | Yield |
---|---|
With 1,3-bis-(diphenylphosphino)propane In benzene stirring (30 min, N2-atmosphere); pptn. on pentane addn., filtration, washing (pentane), drying (vac., room temp.), dissoln. in DMF (85°C), filtration, cooling, Et2O addn., crystn. (ice bath); | 75% |
With 1,3-bis-(diphenylphosphino)propane In benzene absence of oxygen; elem. anal.; |
bis(diphenylphosphino)propanepalladium(II) dichloride
Conditions | Yield |
---|---|
With 1,3-bis-(diphenylphosphino)propane In acetone absence of oxygen; stirring (dissoln., then pptn.); | 51% |
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The [1,3-Bis(diphenylphosphino)propane]palladium(II) dichloride is an organic compound with the formula C27H26Cl2P2Pd. The systematic name of this chemical is palladium(2+) dichloride - propane-1,3-diylbis(diphenylphosphane) (1:1). With the CAS registry number 59831-02-6, it is also named as Dichloropalladium - propane-1,3-diylbis(diphenylphosphine) (1:1). The product's categories are Metal Compounds; Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Metal Complexes; Pd (Palladium) Compounds; Synthetic Organic Chemistry; Transition Metal Compounds.
Physical properties about [1,3-Bis(diphenylphosphino)propane]palladium(II) dichloride are: (1)ACD/LogP: 8.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1767255; (8)ACD/KOC (pH 7.4): 1767255; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 27.18 Å2; (11)Flash Point: 291.5 °C; (12)Enthalpy of Vaporization: 77.45 kJ/mol; (13)Boiling Point: 529.7 °C at 760 mmHg; (14)Vapour Pressure: 9E-11 mmHg at 25°C
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [Pd+2].[Cl-].[Cl-].P(c1ccccc1)(c2ccccc2)CCCP(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C27H26P2.2ClH.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
(3)InChIKey: LDFBXJODFADZBN-NUQVWONBAR
(4)Std. InChI: InChI=1S/C27H26P2.2ClH.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;/h1-12,14-21H,13,22-23H2;2*1H;/q;;;+2/p-2
(5)Std. InChIKey: LDFBXJODFADZBN-UHFFFAOYSA-L