3-((tert-Butoxycarbonyl)amino)isonicotinic acid

Name: 3-((tert-Butoxycarbonyl)amino)isonicotinic acid
Brand: ChemScene
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CAS No. 179024-65-8
Cat. No. CS-0005451
Purity≥98%
MDL No.MFCD03427723

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-((tert-Butoxycarbonyl)amino)isonicotinic acid|CS-0005451

Structure of 179024-65-8

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General Information

CAS No. 179024-65-8
Cat. No. CS-0005451
Purity ≥98%
MDL No. MFCD03427723
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₄N₂O₄
Molecular Weight 238.24
Synonym(s) 3-TERT-BUTOXYCARBONYLAMINO-ISONICOTINIC ACID
SMILES O=C(OC(C)(C)C)NC1=CN=CC=C1C(O)=O

Description

3-((tert-Butoxycarbonyl)amino)isonicotinic acid features a protected primary amine at the 3-position of a pyridine ring, enabling selective functionalization in peptide and heterocyclic synthesis. The tert-butyl carbamate group provides stability under standard conditions while allowing facile removal via mild acid treatment. This derivative serves as a key building block for bioactive molecule construction.

Application

3-((tert-Butoxycarbonyl)amino)isonicotinic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and peptide conjugates. The Boc-protected amine facilitates orthogonal functionalization, while the pyridine carboxylic acid moiety supports diverse coupling reactions. Its bench-stable nature and compatibility with standard purification protocols make it ideal for iterative synthetic workflows in 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 : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 88.52
LogP 2.1268
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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3-((tert-Butoxycarbonyl)amino)isonicotinic acid

CAS No. 179024-65-8

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