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2-Amino-4,6-dimethylbenzonitrile
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CAS No. 35490-77-8
- Cat. No. CS-0199406
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 35490-77-8
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General Information
- CAS No. 35490-77-8
- Cat. No. CS-0199406
- Purity ≥98%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₀N₂
- Molecular Weight 146.19
- Synonym(s) 1-amino-2-cyano-3,5-dimethylbenzene
- SMILES CC1=CC(=C(C#N)C(=C1)N)C
Description
2-Amino-4,6-dimethylbenzonitrile features a strategically positioned nitrile group flanked by two methyl substituents and an amino moiety, enabling robust integration into heterocyclic scaffolds. This electron-rich aromatic system offers enhanced solubility and stability under standard bench conditions, facilitating efficient coupling reactions in medicinal chemistry and materials synthesis.
Application
2-Amino-4,6-dimethylbenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling the construction of heterocyclic scaffolds via cyclization reactions. Its ortho-amino and nitrile functionalities offer complementary reactivity for nucleophilic additions, condensations, and transition-metal-catalyzed couplings. Bench-stable and readily purified by recrystallization, it facilitates efficient access to substituted pyridines, quinolines, and related bioactive frameworks under standard reaction conditions.
Synthesis
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Route1
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58579-99-0 - ~%
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In-stock
35490-77-8
References
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Andrews,B.D. et al. Australian Journal of Chemistry, 1972 , vol. 25, p. 639 - 646
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Route2
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In-stock
1635-84-3 - ~%
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In-stock
35490-77-8
References
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Andrews,B.D. et al. Australian Journal of Chemistry, 1972 , vol. 25, p. 639 - 646
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Route3
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69245-70-1
- ~%
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In-stock
35490-77-8
References
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Sepiol,J. et al. Polish Journal of Chemistry, 1978 , vol. 52, p. 1389 - 1394
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 49.81
- LogP 1.75732
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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