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349100-75-0

349100-75-0 Structure

349100-75-0 Structure
IdentificationBack Directory
[Name]

P,P′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N′,N′-tetraethyl-phosphonous diamide] 97%
[CAS]

349100-75-0
[Synonyms]

XANTPHOS BASED LIGAND
97% XantPhos based ligand
-tetraethyl-phosphonous diamide]
1,1’-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(N,N,N’,N’-tetraethylphosphanediamine)
Phosphonous diamide, P,P'-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N',N'-tetraethyl-
P,P′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N′,N′-tetraethyl-phosphonous diamide] 97%
[Molecular Formula]

C31H52N4OP2
[MDL Number]

MFCD13182459
[MOL File]

349100-75-0.mol
[Molecular Weight]

558.72
Chemical PropertiesBack Directory
[Melting point ]

99-104°C
[Boiling point ]

627.9±55.0 °C(Predicted)
[storage temp. ]

-20°C, stored under nitrogen
[form ]

solid
[pka]

7.20±0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C31H52N4OP2/c1-11-32(12-2)37(33(13-3)14-4)27-23-19-21-25-29(27)36-30-26(31(25,9)10)22-20-24-28(30)38(34(15-5)16-6)35(17-7)18-8/h19-24H,11-18H2,1-10H3
[InChIKey]

APRIDPKHBSWSHQ-UHFFFAOYSA-N
[SMILES]

C1(C)(C)C2=C(C(P(N(CC)CC)N(CC)CC)=CC=C2)OC2=C1C=CC=C2P(N(CC)CC)N(CC)CC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P501-P270-P264-P301+P312+P330
[WGK Germany ]

3
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Uses]

A ligand used in coupling reactions such as Buchwald and Suzuki, and is a metal chelate ligand that can be used in catalytic reactions.
[reaction suitability]

reaction type: Buchwald-Hartwig Cross Coupling Reaction
reaction type: Cross Couplings
reaction type: Heck Reaction
reaction type: Hiyama Coupling
reaction type: Negishi Coupling
reaction type: Sonogashira Coupling
reaction type: Stille Coupling
reaction type: Suzuki-Miyaura Coupling
reagent type: ligand
Spectrum DetailBack Directory
[Spectrum Detail]

P,P′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[N,N,N′,N′-tetraethyl-phosphonous diamide] 97%(349100-75-0)1HNMR
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