3-Amino-4-methoxybenzonitrile

Name: 3-Amino-4-methoxybenzonitrile
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CAS No. 60979-25-1
Cat. No. CS-W021835
Purity≥97%
MDL No.MFCD09745274

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3-Amino-4-methoxybenzonitrile|CS-W021835

Structure of 60979-25-1

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Description

3-Amino-4-methoxybenzonitrile features a strategically positioned amino group and methoxy substituent on a benzonitrile scaffold, enabling selective coupling reactions in pharmaceutical synthesis. The electron-donating methoxy group enhances reactivity at the para position relative to the nitrile, while the amino functionality offers direct handle for derivatization. This compound serves as a key intermediate in developing bioactive heterocycles and functional materials.

Application

3-Amino-4-methoxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through cyclization and coupling reactions. Its ortho-diamino-nitrile motif facilitates efficient transition-metal-catalyzed transformations, while the methoxy group enhances solubility and modulates electronic properties. Bench-stable and amenable to standard purification methods, it functions reliably in multi-step syntheses for API development.

General Information

CAS No. 60979-25-1
Cat. No. CS-W021835
Purity ≥97%
MDL No. MFCD09745274
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂O
Molecular Weight 148.16
Synonym(s) 2-Amino-4-cyanoanisole
SMILES N#CC1=CC=C(OC)C(N)=C1

Computational Chemistry Data

TPSA 59.04
LogP 1.14908
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-H319
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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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Amino-4-methoxybenzonitrile

CAS No. 60979-25-1

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