[2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine

C₃₀H₄₃O₂PCAS 787618-22-8466.65 g/mol

Open in Covalent MOL file

Ether Phosphine

Properties

Molecular formula: C₃₀H₄₃O₂P
Molar mass: 466.65 g/mol
Exact mass: 466.3001 Da
Melting point: 123–124 °C
logP: 8.70Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed90.6% of notifiers
H312 Harmful in contact with skin90.6% of notifiers
H315 Causes skin irritation13.2% of notifiers
H319 Causes serious eye irritation13.2% of notifiers
H332 Harmful if inhaled90.6% of notifiers
H335 May cause respiratory irritation11.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life86.8% of notifiers

Aggregated from 53 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

787618-22-8

SMILES

CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

InChIKey

MXFYYFVVIIWKFE-UHFFFAOYSA-N

InChI

InChI=1S/C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3

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Names and synonyms

6 names

Phosphine, [2′,6′-bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexyl-
2-(Dicyclohexylphosphino)-2′,6′-isopropoxybiphenyl
RuPhos
2-(Dicyclohexylphosphino)-2′,6′-di-isopropoxy-1,1′-biphenyl
2-(Dicyclohexylphosphino)-2′,6′-diisopropoxybiphenyl
2-Dicyclohexylphosphino-2′,6′-diisopropoxybiphenyl

Work with [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine

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

2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl657408-07-673 % similar [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][[2′,6′-bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine-κP]chloropalladium1375325-68-066 % similar (SP-4-4)-[2-[2-(Amino-κN)ethyl]phenyl-κC][[2′,6′-bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine-κP]chloropalladium1028206-60-163 % similar 2-(Dicyclohexylphosphino)-2'-methoxybiphenyl255835-82-660 % similar CPhos1160556-64-857 % similar (SP-4-3)-[[2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine-κP](methanesulfonato-κO)[2′-(methylamino-κN)[1,1′-biphenyl]-2-yl-κC]palladium1599466-85-954 % similar 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl564483-18-754 % similar Bis(2-dicyclohexylphosphinophenyl)ether434336-16-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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