chempirical

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
OOP
EtherPhosphine

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

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 Xphos564483-18-757 % similar 2-(Di-T-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-I-propyl-1,1'-biphenyl1262046-34-352 % similar Sphos657408-07-645 % similar Xphos pd G11028206-56-541 % similar [2′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine787618-22-835 % similar 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt1049726-96-635 % similar

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

Elsewhere

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