Tbuxphos pd G1

C37H55ClNPPdCAS 1142811-12-8686.70 g/mol

Open in Covalent MOL file
PC−NH2ClPd+
PhosphinePrimary amine

Properties

Molecular formula
C37H55ClNPPd
Molar mass
686.70 g/mol
Exact mass
685.2795 Da
logP
11.10Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
7

Hazards

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

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Identifiers

CAS number
1142811-12-8
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]
InChIKey
GITFHTZGVMIBGS-UHFFFAOYSA-M
InChI
InChI=1S/C29H45P.C8H10N.ClH.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;9-7-6-8-4-2-1-3-5-8;;/h13-21H,1-12H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1

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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 pd G11028206-56-573 % similar Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane564483-19-860 % similar Tbuxphos-pd-G31447963-75-851 % similar Brettphospalladacycle1148148-01-948 % similar (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]palladium1599466-89-347 % similar Diphenyl(2',4',6'-tris(1-methylethyl)(1,1'-biphenyl)-2-yl)-phosphine819867-23-741 % similar 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl564483-18-740 % similar T-Bubrettphos palladacycle gen. 31536473-72-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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