1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C₃₉H₃₂OP₂CAS 161265-03-8578.63 g/mol

Open in Covalent MOL file

Ether Phosphine

Properties

Molecular formula: C₃₉H₃₂OP₂
Molar mass: 578.63 g/mol
Exact mass: 578.1928 Da
Melting point: 229–230 °C
logP: 7.63Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation54.4% of notifiers
H319 Causes serious eye irritation96.7% of notifiers
H335 May cause respiratory irritation95.6% of notifiers

Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

161265-03-8

SMILES

CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

InChIKey

CXNIUSPIQKWYAI-UHFFFAOYSA-N

InChI

InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Xantphos
Phosphine, 1,1′-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenyl-
Phosphine, (9,9-dimethyl-9H-xanthene-4,5-diyl)bis[diphenyl-
1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine]
(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[diphenylphosphine]
4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene
9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene
4,5-Bis(diphenylphosphino)-9,9-dimethyl-9H-xanthene
9,9-Dimethyl-4,5-bis(diphenylphosphino)-9H-xanthene
(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane)
(5-Diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine)

Work with 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

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′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC]chloro[[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP]palladium1375325-77-159 % similar 4,6-Bis(diphenylphosphino)-10H-phenoxazine261733-18-054 % similar [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO)palladium1445085-97-151 % similar Dpephos166330-10-546 % similar 1,2-Bis(diphenylphosphino)benzene13991-08-745 % similar 9,9-Dimethyl-9H-xanthene19814-75-643 % similar Methanesulfonato[4,5-bis(diphenylphosphino)-9,9-dimethylxanthene](2'-methylamino-1,1'-biphenyl-2-yl)palladium(II)1621274-19-842 % similar 2,2'-Bis(diphenylphosphino)-1,1'-biphenyl84783-64-241 % similar

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

Elsewhere

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