1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

Name: 1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
Brand: ChemScene
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CAS No. 1313738-80-5
Cat. No. CS-0052601
Purity≥95%
MDL No.None

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine|CS-0052601

Structure of 1313738-80-5

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General Information

CAS No. 1313738-80-5
Cat. No. CS-0052601
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₂₆BNO₂
Molecular Weight 299.22
Synonym(s) 1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
SMILES CC1(C)OB(OC1(C)C)C1=CCCN(CC2=CC=CC=C2)C1

Description

1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine features a boronate ester group paired with a benzyl-substituted tetrahydropyridine core, enabling efficient Suzuki-Miyaura coupling. This bench-stable reagent integrates readily into complex molecule synthesis, offering reliable C–C bond formation under mild conditions.

Application

1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine serves as a versatile boronate building block for palladium-catalyzed cross-coupling reactions. The tetrahydropyridine core provides a stable, bench-ready scaffold with good functional group tolerance, enabling efficient access to substituted heterocyclic architectures. Its pendant benzyl group enhances solubility and stability, while the pinacol boronate moiety facilitates reliable coupling under mild conditions, making it ideal for iterative synthesis in medicinal chemistry and API development.

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 : H315-H319-H413
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 21.7
LogP 3.4501
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

CAS No. 1313738-80-5

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