(R,S)-BtbbIn-Sabox

Name: (R,S)-BtbbIn-Sabox
Brand: ChemScene
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CAS No. 2182671-16-3
Cat. No. CS-0145104
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+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 2182671-16-3

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General Information

CAS No. 2182671-16-3
Cat. No. CS-0145104
Purity ≥97%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄₃H₄₆N₂O₂
Molecular Weight 622.84
Synonym(s) (3AR,3a'R,8aS,8a'S)-2,2'-(1,3-bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)
SMILES CC(C)(C)C(C=C1)=CC=C1CC(C2=N[C@H]3[C@H](CC4=C3C=CC=C4)O2)(C5=N[C@H](C(C=CC=C6)=C6C7)[C@H]7O5)CC8=CC=C(C(C)(C)C)C=C8

Description

(R,S)-BtbbIn-Sabox is a stereodefined, bench-stable boronate ester scaffold designed for efficient Suzuki-Miyaura cross-coupling reactions. This robust platform integrates a bidentate ligand framework that enhances reactivity and selectivity under mild conditions, enabling precise C–C bond formation in complex molecule assembly.

Application

(R,S)-BtbbIn-Sabox serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of complex heterocyclic scaffolds through well-documented coupling and cyclization protocols. Its bench-stable nature and tolerance to diverse functional groups facilitate straightforward purification and integration into multi-step syntheses, making it a practical choice for medicinal chemistry campaigns and process development 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 9.2426
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 6

Key Words

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(R,S)-BtbbIn-Sabox

CAS No. 2182671-16-3

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