chempirical

Sphos

C26H35O2PCAS 657408-07-6410.54 g/mol

Open in Covalent MOL file
OOP
EtherPhosphine

Properties

Molecular formula
C26H35O2P
Molar mass
410.54 g/mol
Exact mass
410.2375 Da
Melting point
125–127 °C
logP
7.14Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
657408-07-6
SMILES
COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIKey
VNFWTIYUKDMAOP-UHFFFAOYSA-N
InChI
InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3

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Names and synonyms

8 names
  • Phosphine, dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)-
  • Dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine
  • 2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl
  • 2-(Dicyclohexylphosphino)-2′,6′-dimethoxy-1,1′-biphenyl
  • Dicyclohexyl(2′,6′-dimethoxybiphenyl-2-yl)phosphine
  • S-Phos
  • (2,6-Dimethoxy-1,1′-biphenyl-2-yl)dicyclohexylphosphine
  • (2′,6′-Dimethoxy-[1,1′-Biphenyl]-2-yl)dicyclohexylphosphine

Work with Sphos

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′,6′-Bis(1-methylethoxy)[1,1′-biphenyl]-2-yl]dicyclohexylphosphine787618-22-873 % similar (Sp-4-4)-[2-[2-(amino-κN)ethyl]phenyl-κC]chloro[dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP]palladium1028206-58-761 % similar Cphos1160556-64-860 % similar 2-(Dicyclohexylphosphino)biphenyl247940-06-356 % similar 2-(Dicyclohexylphosphino)-2′-methylbiphenyl251320-86-256 % similar [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][dicyclohexyl(2′,6′-dimethoxy[1,1′-biphenyl]-2-yl)phosphine-κP](methanesulfonato-κO)palladium1445085-82-456 % similar 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt1049726-96-655 % similar Xphos564483-18-754 % similar

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

Elsewhere

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