Lot numbers can be found on the outside label of a product:
3-Amino-4-methylbenzonitrile
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CAS No. 60710-80-7
- Cat. No. CS-W019309
- Purity≥98%
- MDL No.MFCD04039781
*For research and further manufacturing use only, not for direct human use.
Structure of 60710-80-7
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General Information
- CAS No. 60710-80-7
- Cat. No. CS-W019309
- Purity ≥98%
- MDL No. MFCD04039781
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈N₂
- Molecular Weight 132.16
- Synonym(s) 5-Cyano-2-methylaniline, 2-Amino-4-cyanotoluene
- SMILES C1=CC(=CC(=C1C)N)C#N
Description
3-Amino-4-methylbenzonitrile features a strategically positioned nitrile group flanked by amino and methyl substituents, enabling versatile integration into heterocyclic scaffolds. This electron-rich aromatic core supports efficient coupling reactions and serves as a key intermediate in pharmaceutical and agrochemical synthesis under standard conditions.
Application
3-Amino-4-methylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds via cyclization reactions. Its amino and nitrile groups offer orthogonal reactivity for sequential functionalization, while the methyl substituent enhances metabolic stability. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scale-up in API synthesis.
Synthesis
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Route1
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In-stock
939-79-7 - ~99%
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In-stock
60710-80-7
References
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Abbott Laboratories Patent: US6455671 B1, 2002 ;
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Route2
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104-85-8 - ~%
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In-stock
60710-80-7
References
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Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 8 p. 1203 - 1208
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Route3
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74-90-8
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95-79-4
- ~%
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In-stock
60710-80-7
References
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US2716646 , ; DE943225 , ;
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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 : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 49.81
- LogP 1.4489
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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