(3aR,3a'R,8aS,8a'S)-2,2'-(1,3-Diphenylpropane-2,2-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole)

Name: (3aR,3a'R,8aS,8a'S)-2,2'-(1,3-Diphenylpropane-2,2-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole)
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CAS No. 394738-76-2
Cat. No. CS-0091149
Purity≥97%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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(3aR,3a'R,8aS,8a'S)-2,2'-(1,3-Diphenylpropane-2,2-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole)|CS-0091149

Structure of 394738-76-2

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General Information

CAS No. 394738-76-2
Cat. No. CS-0091149
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₅H₃₀N₂O₂
Molecular Weight 510.62
Synonym(s) (3aR,8aS,3a'R,8a'S)-2,2'-(1,3-Diphenyl-2,2-propanediyl)bis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole)
SMILES C1(C(CC2=CC=CC=C2)(C3=N[C@H](C(C=CC=C4)=C4C5)[C@H]5O3)CC6=CC=CC=C6)=N[C@H]7[C@H](CC8=C7C=CC=C8)O1

Description

(R,S)-BnIn-Sabox delivers a chiral, bench-stable scaffold for asymmetric synthesis, featuring a benzylic nitrogen and a versatile sabox moiety that enables selective functionalization. This configuration supports efficient coupling reactions under mild conditions, enhancing access to complex molecular architectures in medicinal chemistry and catalysis.

Application

(R,S)-BnIn-Sabox serves as a versatile chiral building block in asymmetric synthesis, enabling efficient construction of stereodefined heterocycles and pharmaceutical intermediates. Its benzyloxycarbonyl-protected imine moiety exhibits excellent bench stability and compatibility with standard coupling conditions, facilitating straightforward functionalization and purification. The scaffold functions effectively in Pd-catalyzed cross-coupling and reductive amination protocols, offering broad utility in medicinal chemistry workflows.

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 43.18
LogP 6.6476
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 6

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(3aR,3a'R,8aS,8a'S)-2,2'-(1,3-Diphenylpropane-2,2-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole)

CAS No. 394738-76-2

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