Lot numbers can be found on the outside label of a product:
Methyl 4-amino-2-methylbenzoate
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CAS No. 6933-47-7
- Cat. No. CS-W003522
- Purity≥98%
- MDL No.MFCD08458829
*For research and further manufacturing use only, not for direct human use.
Structure of 6933-47-7
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General Information
- CAS No. 6933-47-7
- Cat. No. CS-W003522
- Purity ≥98%
- MDL No. MFCD08458829
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁NO₂
- Molecular Weight 165.19
- Synonym(s) Methyl4-amino-2-methylbenzoate
- SMILES COC(=O)c1ccc(cc1C)N
Description
Methyl 4-amino-2-methylbenzoate features a para-amino group flanked by an ortho-methyl substituent on the aromatic ring, delivering enhanced electron density and solubility in polar organic solvents. This configuration enables efficient coupling in peptide synthesis and facilitates derivatization under mild conditions. The compound exhibits bench-stable behavior and compatibility with diverse reaction environments.
Application
Methyl 4-amino-2-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-methyl and para-amino groups provide complementary reactivity for sequential functionalization, while the ester moiety supports selective transformations under standard conditions. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses requiring precise regiocontrol and functional group compatibility.
Synthesis
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Route1
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In-stock
62621-09-4 - ~97%
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In-stock
6933-47-7
References
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SMITHKLINE BEECHAM CORPORATION Patent: WO2009/47240 A1, 2009 ; Location in patent: Page/Page column 29 ; WO 2009/047240 A1
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Route2
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67-56-1 -
In-stock
103204-69-9 - ~99%
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In-stock
6933-47-7
References
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BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2006/89909 A1, 2006 ; Location in patent: Page/Page column 99 ;
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Route3
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91133-71-0 - ~%
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In-stock
6933-47-7
References
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WO2006/64286 A1, ; Page/Page column 117 ; WO 2006/064286 A1
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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 1.36382
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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