Lot numbers can be found on the outside label of a product:
Ethyl 2-amino-5-methylbenzoate
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CAS No. 58677-05-7
- Cat. No. CS-0019241
- Purity≥98%
- MDL No.MFCD00115547
*For research and further manufacturing use only, not for direct human use.
Structure of 58677-05-7
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General Information
- CAS No. 58677-05-7
- Cat. No. CS-0019241
- Purity ≥98%
- MDL No. MFCD00115547
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃NO₂
- Molecular Weight 179.22
- Synonym(s) ETHYL 2-AMINO-5-METHYLBENZOAT
- SMILES O=C(OCC)C1=CC(C)=CC=C1N
Description
Ethyl 2-amino-5-methylbenzoate features a conjugated aromatic core with strategically positioned electron-donating amino and methyl groups, enhancing reactivity in electrophilic substitution. The ethyl ester moiety enables straightforward derivatization under standard conditions, facilitating integration into pharmaceutical intermediates and functional materials.
Application
Ethyl 2-amino-5-methylbenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, quinoline derivatives, and other heterocyclic scaffolds. The ortho-amino and ester functionalities offer complementary reactivity for coupling, cyclization, and derivatization under standard conditions. Its bench-stable nature and compatibility with diverse reaction environments facilitate straightforward purification and scale-up in synthetic workflows.
Synthesis
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Route1
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In-stock
2941-78-8 - ~82%
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In-stock
58677-05-7
References
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Masciadri, Raffaello; Thomas, Andrew William; Wichmann, Juergen Patent: US2003/55042 A1, 2003 ;
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Route2
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54064-40-3 - ~96%
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In-stock
58677-05-7
References
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Bhuiyan, M. Delower H.; Zhu, Kai-Xian; Jensen, Paul; Try, Andrew C. European Journal of Organic Chemistry, 2010 , # 24 p. 4662 - 4670
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Route3
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In-stock
2941-78-8
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64-17-5 - ~73%
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In-stock
58677-05-7
References
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Kennewell, Peter D.; Scrowston, Richard M.; Shenouda, Ibrahim G.; Tully, W. Roger; Westwood, Robert Journal of Chemical Research, Miniprint, 1986 , # 7 p. 2001 - 2025
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Safety Information
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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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