2-Amino-4,5-dimethoxybenzonitrile

Name: 2-Amino-4,5-dimethoxybenzonitrile
Brand: ChemScene
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CAS No. 26961-27-3
Cat. No. CS-W017332
Purity≥97%
MDL No.MFCD00058682

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Amino-4,5-dimethoxybenzonitrile|CS-W017332

Structure of 26961-27-3

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General Information

CAS No. 26961-27-3
Cat. No. CS-W017332
Purity ≥97%
MDL No. MFCD00058682
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀N₂O₂
Molecular Weight 178.19
Synonym(s) Benzonitrile, 2-amino-4,5-dimethoxy-
SMILES N#CC1=CC(OC)=C(OC)C=C1N

Description

2-Amino-4,5-dimethoxybenzonitrile features a strategically positioned amino group flanked by two methoxy substituents and a nitrile handle, enabling efficient coupling in heterocyclic synthesis. This electron-rich scaffold delivers enhanced reactivity under standard conditions while maintaining bench stability.

Application

2-Amino-4,5-dimethoxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles and functionalized aromatic scaffolds. Its amino and nitrile groups provide orthogonal reactivity for coupling, cyclization, and derivatization. The dimethoxy substitution enhances solubility and modulates electronic properties, while the compound exhibits excellent bench stability and ease of purification—ideal for iterative synthesis campaigns in API development.

Synthesis

Route1
- 102714-71-6
- ~%
- In-stock
  
  26961-27-3
References
- National Science Council Patent: US5158953 A1, 1992 ;

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-H312-H319-H332
Precautionary Statements : P261-P280-P302+P352-P304+P340

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Computational Chemistry Data

TPSA 68.27
LogP 1.15768
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-4,5-dimethoxybenzonitrile

CAS No. 26961-27-3

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