5-Amino-2-methoxy-4-methylbenzonitrile

Name: 5-Amino-2-methoxy-4-methylbenzonitrile
Brand: ChemScene
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CAS No. 2122548-84-7
Cat. No. CS-0528848
Purity≥98%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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5-Amino-2-methoxy-4-methylbenzonitrile|CS-0528848

Structure of 2122548-84-7

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Description

5-Amino-2-methoxy-4-methylbenzonitrile features a strategically positioned amino group enabling direct coupling in heterocycle synthesis, while the methoxy and methyl substituents enhance electron density at the aromatic ring. The nitrile moiety provides a handle for nucleophilic transformations. This scaffold offers high stability under standard conditions and facilitates efficient derivatization in medicinal chemistry campaigns.

Application

5-Amino-2-methoxy-4-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds. The molecule combines ortho-directed reactivity from the amino and nitrile groups with enhanced stability and ease of purification due to its bench-stable functionalization profile. Its compatibility with standard coupling and cyclization protocols makes it valuable for lead optimization campaigns requiring rapid analog generation.

General Information

CAS No. 2122548-84-7
Cat. No. CS-0528848
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀N₂O
Molecular Weight 162.19
Synonym(s) 5-Amino-2-methoxy-4-methyl-benzonitrile
SMILES N#CC1=CC(N)=C(C)C=C1OC

Computational Chemistry Data

TPSA 59.04
LogP 1.4575
H_Acceptors 3
H_Donors 1
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-P280-P302+P352

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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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5-Amino-2-methoxy-4-methylbenzonitrile

CAS No. 2122548-84-7

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