chempirical

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

C30H43O2PCAS 787618-22-8466.65 g/mol

Open in Covalent MOL file
OOP
EtherPhosphine

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

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

Sphos657408-07-673 % 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 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 Xphos564483-18-754 % similar 2-(Dicyclohexylphosphino)biphenyl247940-06-352 % similar 2-(Dicyclohexylphosphino)-2′-methylbiphenyl251320-86-252 % similar

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

Elsewhere

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