1-[(3aR,8aR)-Tetrahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]piperidine

Name: 1-[(3aR,8aR)-Tetrahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]piperidine
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CAS No. 213843-95-9
Cat. No. CS-0087686
Purity≥97%
MDL No.None

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1-[(3aR,8aR)-Tetrahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]piperidine|CS-0087686

Structure of 213843-95-9

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General Information

CAS No. 213843-95-9
Cat. No. CS-0087686
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 C₃₆H₃₈NO₄P
Molecular Weight 579.66
Synonym(s) 1-[(3aR,8aR)-tetrahydro-2,2-diMethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]- Piperidine
SMILES CC1(C)O[C@@H]2[C@H](C(C3=CC=CC=C3)(C4=CC=CC=C4)OP(N5CCCCC5)OC2(C6=CC=CC=C6)C7=CC=CC=C7)O1

Description

This tetrahydrodioxaphosphepin derivative features a sterically encumbered phosphorus center flanked by four phenyl groups and two methyl-substituted dioxolane rings, delivering exceptional bench stability and moisture tolerance. The piperidine moiety integrates seamlessly into asymmetric synthesis workflows, enabling efficient coupling reactions under standard conditions.

Application

This compound serves as a versatile, bench-stable chiral phosphine building block for asymmetric catalysis. The tetrahydrodioxaphosphepin core enables efficient transition-metal coordination, while the piperidine moiety provides a handle for further functionalization. Its steric and electronic profile facilitates enantioselective transformations in cross-coupling and hydrogenation reactions.

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 40.16
LogP 8.1537
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 5

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1-[(3aR,8aR)-Tetrahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]piperidine

CAS No. 213843-95-9

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