(11aS)-Dibenzo[d,f][1,3]dioxepin-1,11-diylbis[diphenylphosphine]

Name: (11aS)-Dibenzo[d,f][1,3]dioxepin-1,11-diylbis[diphenylphosphine]
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CAS No. 486429-92-9
Cat. No. CS-0108765
Molecule weight566.56
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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(11aS)-Dibenzo[d,f][1,3]dioxepin-1,11-diylbis[diphenylphosphine]|CS-0108765

Structure of 486429-92-9

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General Information

CAS No. 486429-92-9
Cat. No. CS-0108765
Purity ≥97%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₇H₂₈O₂P₂
Molecular Weight 566.56
Synonym(s) (1-diphenylphosphanylbenzo[d][1,3]benzodioxepin-11-yl)-diphenylphosphane
SMILES C12=CC=CC(P(C3=CC=CC=C3)C4=CC=CC=C4)=C1C5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)OCO2

Description

This dibenzo[d,f][1,3]dioxepin-based bisphosphine features a rigid, electron-rich scaffold that enhances metal coordination stability. The 11aS stereochemistry ensures predictable ligand geometry, while the diphenylphosphine moieties deliver strong donor capacity. Designed for homogeneous catalysis, it facilitates efficient transition metal complexation under standard conditions.

Application

(11aS)-Dibenzo[d,f][1,3]dioxepin-1,11-diylbis[diphenylphosphine] serves as a robust, bench-stable chiral bidentate phosphine ligand, enabling efficient palladium-catalyzed cross-coupling reactions. Its rigid, fused dioxepine backbone imparts high thermal stability and excellent stereocontrol in asymmetric transformations, while the diphenylphosphine groups offer strong metal coordination and tolerance to diverse functional groups. This ligand facilitates reliable C–C and C–heteroatom bond formation in complex molecule synthesis.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 18.46
LogP 6.5987
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 6

Key Words

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(11aS)-Dibenzo[d,f][1,3]dioxepin-1,11-diylbis[diphenylphosphine]

CAS No. 486429-92-9

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