(SP-4-3)-[Bis(1,1-dimethylethyl)[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium

C₄₃H₆₀NO₃PPdSCAS 1599466-89-3808.41 g/mol

Open in Covalent MOL file

Phosphine Secondary amine Sulfonic acid

Properties

Molecular formula: C₄₃H₆₀NO₃PPdS
Molar mass: 808.41 g/mol
Exact mass: 807.3066 Da
logP: 11.78Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number

1599466-89-3

SMILES

CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.CNc1ccccc1-c1[c-]cccc1.CS(=O)(=O)[O-].[Pd+2]

InChIKey

IANCYBQHWUDLAT-UHFFFAOYSA-M

InChI

InChI=1S/C29H45P.C13H12N.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;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h13-21H,1-12H3;2-7,9-10,14H,1H3;1H3,(H,2,3,4);/q;-1;;+2/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Palladium, [bis(1,1-dimethylethyl)[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]-, (SP-4-3)-

Work with (SP-4-3)-[Bis(1,1-dimethylethyl)[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Xphos palladacycle gen. 41599466-81-575 % similar Tbuxphos-pd-G31447963-75-857 % similar (SP-4-3)-[Dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium1599466-87-153 % similar (SP-4-3)-[[2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine-κP](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium1599466-85-953 % similar Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane564483-19-852 % similar [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][2′-[bis(1,1-dimethylethyl)phosphino-κP]-N,N-dimethyl[1,1′-biphenyl]-2-amine](methanesulfonato-κO)palladium1445085-92-651 % similar [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC](methanesulfonato-κO)[tris(1,1-dimethylethyl)phosphine]palladium1445086-17-849 % similar Tbuxphos pd G11142811-12-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook