Herrmann's catalyst

C₄₆H₄₆O₄P₂Pd₂CAS 172418-32-5937.66 g/mol

Open in Covalent MOL file

Carboxylic acid Phosphine

Properties

Molecular formula: C₄₆H₄₆O₄P₂Pd₂
Molar mass: 937.66 g/mol
Exact mass: 936.0941 Da
logP: 7.41Crippen estimate
Polar surface area: 80.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

172418-32-5

SMILES

C=C1[CH-]C=CC=C1P(c1ccccc1C)c1ccccc1C.C=C1[CH-]C=CC=C1P(c1ccccc1C)c1ccccc1C.CC(=O)[O-].CC(=O)[O-].[Pd+2].[Pd+2]

InChIKey

AQTSNKXEMWZOGA-UHFFFAOYSA-L

InChI

InChI=1S/2C21H20P.2C2H4O2.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;2*1-2(3)4;;/h2*4-15H,1H2,2-3H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2

Weigh it out

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

Names and synonyms

12 names

Palladium, bis[μ-(acetato-κO:κO′)]bis[[2-[bis(2-methylphenyl)phosphino-κP]phenyl]methyl-κC]di-, stereoisomer
Palladium, bis[μ-(acetato-O:O′)]bis[[2-[bis(2-methylphenyl)phosphino]phenyl]methyl-C,P]di-, stereoisomer
Stereoisomer of Bis[μ-(acetato-κO:κO′)]bis[[2-[bis(2-methylphenyl)phosphino-κP]phenyl]methyl-κC]dipalladium
trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium
trans-Di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)
trans-Di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium
Herrmann's palladacycle
trans-Di-μ-acetatobis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium
Hermann-Beller catalyst
Hermann-Beller palladacycle
trans-Bis(acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II)
trans-Di(p-acetato)-bis[o-(di-o-tolylphosphino) benzyl]dipalladium(II)

Work with Herrmann's catalyst

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

Bis(triphenylphosphine)palladium diacetate14588-08-039 % similar Tris(o-tolyl)phosphine6163-58-230 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia