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Key Documents

805696

Sigma-Aldrich

tBuXphos-Pd-G3 GT capsule

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About This Item

Empirical Formula (Hill Notation):
C42H58NO3PPdS
Molecular Weight:
794.37
UNSPSC Code:
12352300
PubChem Substance ID:

form

capsule

Quality Level

feature

generation 3

reaction suitability

reaction type: Cross Couplings
reagent type: catalyst
core: palladium

functional group

phosphine

SMILES string

CC(C)C(C=C1C(C)C)=CC(C(C)C)=C1C2=CC=CC=C2[P+]([Pd-2]3(OS(C)(=O)=O)C(C=CC=C4)=C4C5=C([NH2+]3)C=CC=C5)(C(C)(C)C)C(C)(C)C

InChI

1S/C29H45P.C12H10N.CH4O3S.Pd/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(2,3)4;/h13-21H,1-12H3;1-6,8-9H,13H2;1H3,(H,2,3,4);/q;;;+1/p-1

InChI key

SQQOHCLJPLSJGX-UHFFFAOYSA-M

Application

Convenient dosable form of tBuXphos-Pd-G3

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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