tert-Butyl isonicotinate

Name: tert-Butyl isonicotinate
Brand: ChemScene
Availability: InStock
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CAS No. 81660-73-3
Cat. No. CS-0130445
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 81660-73-3

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Description

tert-Butyl isonicotinate features a sterically hindered tert-butyl ester group attached to the isonicotinate scaffold, delivering enhanced stability and ease of handling. This bench-stable derivative facilitates efficient incorporation into synthetic sequences, particularly in peptide coupling and macrocyclization reactions where controlled release is required.

Application

tert-Butyl isonicotinate serves as a stable, bench-ready ester handle for the isonicotinoyl moiety, enabling straightforward hydrolysis to yield isonicotinic acid under mild conditions. Its tert-butyl group provides enhanced stability and ease of purification, while the pyridine ring offers compatibility with diverse functional groups in cross-coupling and nucleophilic substitution reactions. Functions effectively as a building block in synthetic routes to heterocyclic scaffolds and pharmaceutical intermediates.

General Information

CAS No. 81660-73-3
Cat. No. CS-0130445
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃NO₂
Molecular Weight 179.22
Synonym(s) None
SMILES O=C(OC(C)(C)C)C1=CC=NC=C1

Computational Chemistry Data

TPSA 39.19
LogP 2.0369
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

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

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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tert-Butyl isonicotinate

CAS No. 81660-73-3

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