4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)

C₃₈H₂₈O₄P₂CAS 244261-66-3610.59 g/mol

Open in Covalent MOL file

Acetal Ether Phosphine

Properties

Molecular formula: C₃₈H₂₈O₄P₂
Molar mass: 610.59 g/mol
Exact mass: 610.1463 Da
logP: 6.33Crippen estimate
Polar surface area: 36.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

244261-66-3

SMILES

c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1

InChIKey

RZZDRSHFIVOQAF-UHFFFAOYSA-N

InChI

InChI=1S/C38H28O4P2/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25-26H2

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Names and synonyms

6 names

Segphos
Phosphine, 1,1′-[(4R)-[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[1,1-diphenyl-
Phosphine, [(4R)-[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[diphenyl-
1,1′-[(4R)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diyl]bis[1,1-diphenylphosphine]
(R)-(+)-SEGPHOS
(R)-SEGPHOS

Work with 4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)210169-54-3

Similar compounds

1,1'-[(4S)-2,2,2',2'-Tetrafluoro[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[1,1-diphenylphosphine]503538-69-053 % similar 1,1′-[(4S)-2,2,2′,2′-Tetrafluoro[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[1,1-diphenylphosphine]503538-70-353 % similar Binap76189-55-443 % similar (-)-BINAP76189-56-543 % similar BINAP98327-87-843 % similar (2'-Methoxy-1,1'-binaphthalen-2-yl)(diphenyl)phosphine134484-36-943 % similar (R)-Mop145964-33-643 % similar Dpephos166330-10-543 % similar

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

Elsewhere

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