chempirical

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

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

Weigh it out

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

Work with Tbuxphos pd G1

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 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 Xphos564483-18-740 % similar (Sp-4-4)-[2-[2-(amino-κN)ethyl]phenyl-κC][[2′,6′-bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine-κP]chloropalladium1028206-60-138 % similar (Sp-4-4)-[2-[2-(amino-κN)ethyl]phenyl-κC]chloro[dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP]palladium1028206-58-738 % similar 2-(Di-T-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-I-propyl-1,1'-biphenyl1262046-34-334 % similar 2-(Di-tert-butylphosphino)biphenyl224311-51-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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