Bis(tri-tert-butylphosphine)palladium(0) supplier

Name
Bis(tri-tert-butylphosphine)palladium(0)
EINECS 640-284-9
CAS No. 53199-31-8
Article Data29
CAS DataBase
Density
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
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);
PSA 27.18000
LogP 9.72760

Synthetic route

: bis(η3-allyl-μ-chloropalladium(II))

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In acetonitrile for 18h; Inert atmosphere; Glovebox;	97%
In acetonitrile Inert atmosphere; Glovebox;

: tris(dibenzylideneacetone)dipalladium (0)

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

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

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

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

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

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%

...Expand

: 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

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

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.

...Expand

: 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

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%

...Expand

: 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

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;

...Expand

: tris(dibenzylideneacetone)dipalladium

: Pd((C6H5CHCH)2C(O))3

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene inert atmosphere; stirring (room temp., 15 h); filtering, evapn., crystn. (Et2O, -30°C);	65%

...Expand

: 13716-12-6
tri-tert-butyl phosphine

: 955977-02-3
(μ-η(2),η(2)-C6H10O)[Pd(η(2),η(2)-C6H10O)]2*C6H10O

A: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

B: 252008-05-2
((CH3)3C)3PPd(η(2),η(2)-C6H10O)

Conditions

Conditions	Yield
In diethyl ether (Ar); reaction of suspn. of Pd complex (1 eqiuv., Et2O) with phosphine soln. (2 equiv., Et2O) at -30°C for 1 h, cooling (-78°C), crystn.; removal of mother liquor, drying (in vacuo);	A 10% B 55%

...Expand

: 330980-08-0, 330783-83-0
((CH3C6H4)3PC6H3(C4H9)CH3PdI)2

: 13716-12-6
tri-tert-butyl phosphine

A: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

B: 70728-98-2
4-(tert-butyl)-2-iodo-1-methylbenzene

Conditions

Conditions	Yield
In benzene-d6 byproducts: P(o-tol)3, biaryl, arene; in C6D6 soln. at 70°C; NMR spectroscopy; K(eq) = 3.7(2)E-5;	A n/a B 39%

...Expand

: 176724-84-8
((CH3C6H4)3PC6H4(C4H9)PdCl)2

: 13716-12-6
tri-tert-butyl phosphine

A: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

B: 3972-56-3
4-(tert-butyl)chlorobenzene

Conditions

Conditions	Yield
In benzene-d6 byproducts: P(o-tol)3, biaryl, arene; in C6D6 soln. at 70°C;	A n/a B 30%

...Expand

: 74-85-1
ethene

: 13716-12-6
tri-tert-butyl phosphine

: 210691-06-8, 252062-57-0, 252062-49-0
(μ-η(2),η(2)-C7H12)[Pd(η(2),η(2)-C7H12)]2

A: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

B: 252007-96-8
Pd(η(2),η(2)-C7H12)(η(2)-C7H12)

C: 210691-14-8
((CH3)3C)3PPd(η(2),η(2)-C7H12)

Conditions

Conditions	Yield
In pentane (Ar); reaction of Pd complex suspended in C5H12 with C2H4 (-30°C), filtration, addn. of soln. of phosphine (2 equivalents in C5H12, -78°C), crystn., evapn. to dryness (-78°C, high vacuum); not purified, 90% pure (NMR);	A 5% B 5% C 30%

...Expand

: 69861-71-8
bis(tri-ortho-tolylphosphine)palladium(0)

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In not given byproducts: P(o-tolyl)3; treatment of Pd(P(o-tolyl)3)2 with P(t-Bu)3;

: 176780-03-3, 164927-39-3
(Pd[P(o-tolyl)3](4-(t)Bu-C6H4)(μ-Br))2

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 byproducts: 4-t-BuC6H4Br, P(o-tolyl)3; drybox; P(t-Bu)3 was added to soln. of Pd complex in C6D6; moxt. was heated at 70°C;

: Pd4(CF)Cl3[P(C(CH3)3)3]4

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
With H2; NEt3 In toluene react. complete after 4 h;

: 457949-31-4, 636583-99-8
[PdI(Ph)(tri-tert-butylphosphine)]

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 Kinetics; byproducts: C6H5I; at 70°C; monitoring by NMR;

: 176724-84-8
[Pd(P(o-tolyl)3)(4-t-Bu-C6H4)(μ-Cl)]2

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 byproducts: 4-t-BuC6H4Cl, P(o-tolyl)3; drybox; P(t-Bu)3 was added to soln. of Pd complex in C6D6; moxt. was heated at 70°C;

: 636583-98-7
tBu3PPd(Ph)Br

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 Kinetics; byproducts: C6H5Br; at 70°C; monitoring by NMR;

: 636583-96-5
[PdBr(P(tert-butyl)3)(o-tolyl)]

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 Kinetics; byproducts: CH3C6H4Br; at 70°C; monitoring by NMR;

: 636583-95-4
[PdCl(P(tert-butyl)3)(o-tolyl)]

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 Kinetics; byproducts: CH3C6H4Cl; at 70°C; monitoring by NMR;

: 636583-97-6
[PdI(P(tert-butyl)3)(o-tolyl)]

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 Kinetics; byproducts: CH3C6H4I; at 70°C; monitoring by NMR;

: 330979-64-1, 330783-81-8
[Pd(P(o-tolyl)3)(2-Me-5-t-Bu-C6H3)(μ-Cl)]2

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 Kinetics; byproducts: 2-Me-5-t-BuC6H3Cl, P(o-tolyl)3; drybox; P(t-Bu)3 was added to soln. of Pd complex in C6D6; moxt. was heated at 55 or 65°C;

: 330783-82-9, 330979-75-4
[Pd(P(o-tolyl)3)(2-Me-5-t-Bu-C6H3)(μ-Br)]2

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 Kinetics; byproducts: 2-Me-5-t-BuC6H3Br, P(o-tolyl)3; drybox; P(t-Bu)3 was added to soln. of Pd complex in C6D6; moxt. was heated at 55 or 65°C;

: 330980-08-0, 330783-83-0
[Pd(P(o-tolyl)3)(2-Me-5-t-Bu-C6H3)(μ-I)]2

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In benzene-d6 byproducts: 2-Me-5-t-BuC6H3I, P(o-tolyl)3; drybox; P(t-Bu)3 was added to soln. of Pd complex in C6D6; moxt. was heated at 70°C;

: bis(η3-allyl)palladium

: 13716-12-6
tri-tert-butyl phosphine

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

Conditions

Conditions	Yield
In diethyl ether react. Pd(η3-C3H5)2 and P(tBu)3 at 20°C;

: [Pd((η(2)-CH2CHSiMe2)2O)CNC(CH3)3]

A: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

B: 252007-98-0
Pd(η(2),η(2)-C8H18Si2O)(η(2)-C8H18Si2O)

Conditions

Conditions	Yield
In not given (Ar); redistribution reaction in soln., starts at 0°C;

: 252008-05-2
((CH3)3C)3PPd(η(2),η(2)-C6H10O)

A: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

B: 252007-97-9
Pd(η(2),η(2)-C6H10O)(η(2)-C6H10O)

Conditions

Conditions	Yield
In not given (Ar); redistribution reaction in soln., starts at 0°C;

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 106-38-7
para-bromotoluene

: C19H34BrPPd

Conditions

Conditions	Yield
With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I) In tetrahydrofuran-d8 at 20℃; for 0.0833333h; Reagent/catalyst;	100%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 4-Dimethylamino-1-(4-methyl-benzoyl)-pyridinium; chloride

: (Xantphos)Pd(CO(C6H4CH3))(Cl)

Conditions

Conditions	Yield
With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In dichloromethane-d2 at 25℃; for 1h;	99%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: [(palladium)2(bromo)6][tri-tert-butylphosphonium bromide]2

: 185812-86-6
di-μ-bromobis-(tritert-butylphosphine)dipalladium(I)

Conditions

Conditions	Yield
In methanol; toluene at 20℃; for 0.666667h; Inert atmosphere; Schlenk technique;	96%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 98-88-4
benzoyl chloride

: (tBu3P)Pd(COPh)Cl

Conditions

Conditions	Yield
at 40℃; for 1h; Inert atmosphere; Glovebox;	95%
With iodobenzene In pentane for 2.5h; Glovebox; Inert atmosphere;	89%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 1264184-52-2
2-{(tert-butyl)phenylphosphino}benzenesulfonic acid

: 1448668-84-5
{(κ2-P,O)-2-[(tert-butyl)(phenyl)phosphine]benzenesulfonato}(tri-tertbutylphosphine)palladium(II)-hydride

Conditions

Conditions	Yield
In benzene at 60℃; Inert atmosphere;	93%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 874-60-2
4-methyl-benzoyl chloride

: p-tolylCOPd(PtBu3)Cl

Conditions

Conditions	Yield
In pentane at 20℃; for 16h; Glovebox; Inert atmosphere;	93%
With iodobenzene In benzene-d6 for 18h; Glovebox; Inert atmosphere;	98 %Spectr.

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 2CF3S(1-)*Pd(2+)

: {[tri-tertbutylphosphine]PdSCF3}2

Conditions

Conditions	Yield
In tetrahydrofuran for 2h; Glovebox;	93%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 201230-82-2
carbon monoxide

: 624-31-7
4-tolyl iodide

: p-tolylCOPd(PtBu3)I

Conditions

Conditions	Yield
In acetonitrile at 55℃; under 3040.2 Torr; for 16h; Solvent; Glovebox; Inert atmosphere;	92%

...Expand

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 91159-11-4
1,3-bis(diisopropylphosphino)propane

: 175693-25-1
[Pd(1,2-bis(diisopropylphosphino)ethane)]2(μ-1,3-bis(diisopropylphosphino)propane)

Conditions

Conditions	Yield
In toluene at 70℃; for 24h; Inert atmosphere; Schlenk technique;	91%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 1714-29-0
1-bromopyrene

: C28H36BrPPd

Conditions

Conditions	Yield
In toluene at 70℃; for 4h; Glovebox;	90%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 23683-68-3
3-bromoperylene

: C32H38BrPPd

Conditions

Conditions	Yield
In toluene at 70℃; for 2h; Glovebox;	90%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 591-50-4
iodobenzene

: [PhCOPd(PtBu3)I]

Conditions

Conditions	Yield
In acetonitrile byproducts: CO; react. of Pd complex with PhI;	86%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 201230-82-2
carbon monoxide

: 696-62-8
para-iodoanisole

: C20H34IO2PPd

Conditions

Conditions	Yield
In acetonitrile at 55℃; under 3040.2 Torr; for 24h; Sealed tube; Glovebox;	86%

...Expand

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 1262758-37-1
7-bromo-9,9-dioctyl-N,N-diphenyl-9H-fluoren-2-amine

: C53H77BrNPPd

Conditions

Conditions	Yield
In toluene at 70℃; for 9h; Glovebox;	85%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 645-45-4
hydrocinnamic acid chloride

: C21H36ClOPPd

Conditions

Conditions	Yield
In pentane at 24℃; for 2h; Inert atmosphere; Glovebox;	84%
In pentane at 20℃; for 2h;	82%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 131042-77-8
IAd

: [di(1,3-bisadamantylimidazolin-2-ydene)paladium(0)]

Conditions

Conditions	Yield
In hexane stirred at ambient temp. for 24-48 h; ppt. filtered, dried (vac.); elem. anal.;	83%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 75-09-2
dichloromethane

: 460-00-4
1-Bromo-4-fluorobenzene

: 97472-13-4
1,3-bis(cyclohexylphosphanyl)propane

: C33H54BrFP2Pd*2.0CH2Cl2

Conditions

Conditions	Yield
Stage #1: bis(tri-t-butylphosphine)palladium(0); 1,3-bis(cyclohexylphosphanyl)propane In toluene at 20℃; for 1h; Inert atmosphere; Stage #2: 1-Bromo-4-fluorobenzene In toluene at 80℃; for 15h; Inert atmosphere; Stage #3: dichloromethane	83%

...Expand

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 1263785-83-6
(R)-4-(4-bromophenyl)-4-((tertbutyldimethylsilyl)oxy)butan-2-one

: 1263785-80-3
(R)-4-((tert-butyldimethylsilyl)oxy)-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)butan-2-one

Conditions

Conditions	Yield
With potassium acetate In water	82%

: 108-86-1
bromobenzene

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 636583-98-7
tBu3PPd(Ph)Br

Conditions

Conditions	Yield
In toluene at 70℃; for 5h; Glovebox;	80%
at 70℃; for 2h; Inert atmosphere; Glovebox;	75%
In neat (no solvent) addn. of Pd(P(t-Bu)3)2, PhBr and a stir bar to screw-capped vial in a glovebox; removal of vial from the glovebox; heating at 70°C for 2.5 h; monitoring by NMR; returning of vial to the drybox, addn. to flask with pentane; pptn., stirring for 5 min, washing with pentane, drying under vac.; elem. anal.;	64%
In butanone Kinetics; 70°C;
at 70℃; for 2.5h;

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 944384-93-4
[o-(iPr2P)C6H4]3B

: 1092072-32-6
Pd(((CH3)2CH)2PC6H4)3B

Conditions

Conditions	Yield
In toluene react. Pd complex with ligand in toluene at room temp. for 6 h;	80%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 74-85-1
ethene

: 97472-13-4
1,3-bis(cyclohexylphosphanyl)propane

: (1,3-(dicyclohexylphosphino)propane )Pd(ethylene)

Conditions

Conditions	Yield
Stage #1: bis(tri-t-butylphosphine)palladium(0); 1,3-bis(cyclohexylphosphanyl)propane In tetrahydrofuran; pentane for 2h; Schlenk technique; Inert atmosphere; Stage #2: ethene In tetrahydrofuran; pentane at 20℃; for 0.75h; Solvent; Schlenk technique; Inert atmosphere;	80%

...Expand

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 24393-53-1, 136265-11-7, 15795-20-7
ethyl (E)-3-(4-bromophenyl)-2-propenoate

: 877065-13-9
(E)-Ethyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl)acrylate

Conditions

Conditions	Yield
With potassium acetate In water	77%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: [1-(4-bromo-phenyl)-vinyloxy]-tert-butyl-dimethyl-silane

: 1263785-82-5
tert-butyl dimethyl((1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)vinyl)oxy)silane

Conditions

Conditions	Yield
With potassium acetate In water	77%

: 53199-31-8
bis(tri-t-butylphosphine)palladium(0)

: 75-09-2
dichloromethane

: 450-88-4
1-bromo-4-fluoro-2-methoxybenzene

: 97472-13-4
1,3-bis(cyclohexylphosphanyl)propane

: C34H56BrFOP2Pd*0.62CH2Cl2

Conditions

Conditions	Yield
Stage #1: bis(tri-t-butylphosphine)palladium(0); 1,3-bis(cyclohexylphosphanyl)propane In toluene at 20℃; for 1h; Inert atmosphere; Stage #2: 1-bromo-4-fluoro-2-methoxybenzene In toluene at 80℃; for 15h; Inert atmosphere; Stage #3: dichloromethane	76%

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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

Product Name

Bis(tri-tert-butylphosphine)palladium(0)

Synthetic route

Bis(tri-tert-butylphosphine)palladium(0) Specification

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