2-Amino-5-(tert-butyl)benzonitrile

Name: 2-Amino-5-(tert-butyl)benzonitrile
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CAS No. 874814-72-9
Cat. No. CS-0457671
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Amino-5-(tert-butyl)benzonitrile|CS-0457671

Structure of 874814-72-9

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Description

2-Amino-5-(tert-butyl)benzonitrile features a sterically hindered tert-butyl group flanking an electron-rich amino substituent, delivering enhanced stability and solubility in polar organic media. This strategic substitution pattern enables efficient incorporation into complex heterocycles and pharmaceutical intermediates under standard bench conditions.

Application

2-Amino-5-(tert-butyl)benzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling the construction of substituted benzimidazoles, benzoxazoles, and other heterocyclic scaffolds. The amino and nitrile groups offer orthogonal reactivity for sequential functionalization, while the tert-butyl group enhances steric protection and metabolic stability. Bench-stable and readily purified by recrystallization, it functions efficiently in coupling reactions and transition-metal-catalyzed transformations.

General Information

CAS No. 874814-72-9
Cat. No. CS-0457671
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₄N₂
Molecular Weight 174.24
Synonym(s) BUTTPARK 83\07-21
SMILES N#CC1=CC(C(C)(C)C)=CC=C1N

Computational Chemistry Data

TPSA 49.81
LogP 2.43798
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-5-(tert-butyl)benzonitrile

CAS No. 874814-72-9

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