Lot numbers can be found on the outside label of a product:
3-Amino-4-methylbenzoic acid ethyl ester
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CAS No. 41191-92-8
- Cat. No. CS-B1330
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 41191-92-8
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General Information
- CAS No. 41191-92-8
- Cat. No. CS-B1330
- Purity ≥98%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃NO₂
- Molecular Weight 179.22
- Synonym(s) Ethyl 3-amino-4-methylbenzoate; Ethyl 3-Amino-p-toluate
- SMILES NC1=C(C)C=CC(C(OCC)=O)=C1
Description
This ethyl ester derivative features a para-substituted aromatic ring bearing both an amino and methyl group, enabling direct incorporation into peptide mimetics and pharmaceutical scaffolds. The ester functionality supports facile hydrolysis or derivatization under standard conditions, while the electron-donating amino and methyl groups enhance reactivity in cross-coupling processes.
Application
3-Amino-4-methylbenzoic acid ethyl ester serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds via standard condensation and cyclization protocols. The amino and ester functionalities offer orthogonal reactivity for sequential derivatization, while the methyl group provides a defined regiochemical handle. Bench-stable and readily purified by standard chromatography, it facilitates scalable synthesis of bioactive intermediates.
Synthesis
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Route1
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19013-15-1 - ~98%
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In-stock
41191-92-8
References
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Gilbert, Adam M.; Katz, Thomas J.; Geiger, William E.; Robben, Matthew P.; Rheingold, Arnold L. Journal of the American Chemical Society, 1993 , vol. 115, # 8 p. 3199 - 3211
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Route2
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In-stock
96-98-0 - ~%
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In-stock
41191-92-8
References
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Gilbert, Adam M.; Katz, Thomas J.; Geiger, William E.; Robben, Matthew P.; Rheingold, Arnold L. Journal of the American Chemical Society, 1993 , vol. 115, # 8 p. 3199 - 3211
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Route3
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64-17-5 -
2458-12-0 - ~98%
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In-stock
41191-92-8
References
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Pan, Xiaoyan; Dong, Jinyun; Gao, Hongping; Wang, Fang; Zhang, Yanmin; Wang, Sicen; Zhang, Jie Chemical Biology and Drug Design, 2014 , vol. 83, # 5 p. 592 - 599
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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 52.32
- LogP 1.75392
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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