2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C₃₃H₄₉PCAS 564483-18-7476.73 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₃₃H₄₉P
Molar mass: 476.73 g/mol
Exact mass: 476.3572 Da
Melting point: 182–184 °C
logP: 10.50Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled21.3% of notifiers
H302 Harmful if swallowed26.9% of notifiers
H312 Harmful in contact with skin21.3% of notifiers
H315 Causes skin irritation59.3% of notifiers
H319 Causes serious eye irritation59.3% of notifiers
H332 Harmful if inhaled21.3% of notifiers
H335 May cause respiratory irritation58.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life25.9% of notifiers

Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

564483-18-7

SMILES

CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

InChIKey

UGOMMVLRQDMAQQ-UHFFFAOYSA-N

InChI

InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3

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Names and synonyms

11 names

Xphos
2-Dicyclohexylphosphino-2′,4′,6′-triisoprophylbiphenyl
Phosphine, dicyclohexyl[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]-
Dicyclohexyl[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine
X-Phos
2-(Dicyclohexylphosphino)-2′,4′,6′-triisopropyl-1,1′-biphenyl
2,,4′,6′-Diisopropyl-1,1′-biphenyl-2-yldicyclohexylphosphine
Dicyclohexyl(2′,4′,6′-triisopropylbiphenyl-2-yl)phosphine
2-(Dicyclohexylphosphino)-2′,4′,6′-tri(isopropyl)biphenyl
[2′,4′,6′-Triisopropyl-1,1′-biphenyl-2-yl]dicyclohexylphosphine
Dicyclohexyl(2′,4′,6′-triisopropyl[1,1′-biphenyl]-2-yl)phosphine

Work with 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

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 G11028206-56-563 % similar 2'-Dicyclohexylphosphino-2,6-di-I-propyl-4-sulfonato-1,1'-biphenylhydratesodiumsalt870245-84-461 % similar Diphenyl(2',4',6'-tris(1-methylethyl)(1,1'-biphenyl)-2-yl)-phosphine819867-23-759 % similar Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane564483-19-858 % similar Dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine1070663-78-357 % similar Xphos palladacycle gen. 41599466-81-554 % similar 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl657408-07-654 % similar [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine787618-22-854 % similar

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

Elsewhere

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