Lot numbers can be found on the outside label of a product:
Methyl 4-amino-3-methoxybenzoate
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CAS No. 41608-64-4
- Cat. No. CS-B0715
- Purity≥97%
- MDL No.MFCD00017203
*For research and further manufacturing use only, not for direct human use.
Structure of 41608-64-4
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General Information
- CAS No. 41608-64-4
- Cat. No. CS-B0715
- Purity ≥97%
- MDL No. MFCD00017203
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁NO₃
- Molecular Weight 181.19
- Synonym(s) Methyl-4-amino-3-methoxybenzolcarboxylat
- SMILES O=C(OC)C1=CC(OC)=C(N)C=C1
Description
Methyl 4-amino-3-methoxybenzoate features a strategically positioned amino group and methoxy substituent on the aromatic ring, enabling selective coupling reactions in peptide synthesis and medicinal chemistry. The ester functionality provides stability under standard conditions while allowing straightforward hydrolysis to the corresponding acid when needed.
Application
Methyl 4-amino-3-methoxybenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling straightforward access to substituted benzimidazoles and other heterocyclic scaffolds. The molecule exhibits robust bench stability, tolerates common functional groups, and facilitates efficient derivatization via amine coupling or electrophilic aromatic substitution. Its methoxy and ester functionalities support orthogonal transformations, making it well-suited for modular synthetic strategies in API development.
Synthesis
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Route1
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In-stock
5081-37-8 - ~98%
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In-stock
41608-64-4
References
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Mok, N. Yi; Chadwick, James; Kellett, Katherine A. B.; Casas-Arce, Eva; Hooper, Nigel M.; Johnson, A. Peter; Fishwick, Colin W. G. Journal of Medicinal Chemistry, 2013 , vol. 56, # 5 p. 1843 - 1852
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Route2
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67-56-1 -
In-stock
2486-69-3 - ~99%
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In-stock
41608-64-4
References
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DECODE GENETICS EHF Patent: US2009/130076 A1, 2009 ; Location in patent: Page/Page column 31; 32 ; US 20090130076 A1
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Route3
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In-stock
2486-69-3
- ~99%
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In-stock
41608-64-4
References
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AGOURON PHARMACEUTICALS, INC. Patent: EP1109560 B1, 2003 ;
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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 61.55
- LogP 1.064
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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