Dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine

C₃₅H₅₃O₂PCAS 1070663-78-3536.78 g/mol

Open in Covalent MOL file

Ether Phosphine

Properties

Molecular formula: C₃₅H₅₃O₂P
Molar mass: 536.78 g/mol
Exact mass: 536.3783 Da
Melting point: 191–193 °C
logP: 10.51Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 9

Hazards

Warning

H302 Harmful if swallowed37.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers
H412 Harmful to aquatic life with long lasting effects37.5% of notifiers

Aggregated from 8 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1070663-78-3

SMILES

COc1ccc(OC)c(P(C2CCCCC2)C2CCCCC2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C

InChIKey

WDVGNXKCFBOKDF-UHFFFAOYSA-N

InChI

InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3

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Names and synonyms

5 names

Phosphine, dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]-
BrettPhos
3,6-Dimethoxy-2′,4′,6′-triisopropyl-1,1′-biphenyl-2-yl]dicyclohexylphosphine
2-Dicyclohexylphosphino-3,6-dimethoxy-2′,4′,6′-triisopropyl-1,1′-biphenyl
Dicyclohexyl(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine

Work with Dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine

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

Brettphospalladacycle1148148-01-963 % similar AdBrettPhos1160861-59-560 % similar 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl564483-18-757 % similar 2-Bromo-2',4',6'-triisopropyl-3,6-dimethoxy-1,1'-biphenyl1402393-56-955 % similar 2-(Di-T-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-I-propyl-1,1'-biphenyl1262046-34-352 % similar 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl657408-07-645 % similar Xphos pd G11028206-56-541 % similar 2-(Dicyclohexylphosphino)-2'-methoxybiphenyl255835-82-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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