Lot numbers can be found on the outside label of a product:
Methyl 2,3-diaminobenzoate
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CAS No. 107582-20-7
- Cat. No. CS-W005147
- Purity≥98%
- MDL No.MFCD04038589
*For research and further manufacturing use only, not for direct human use.
Structure of 107582-20-7
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General Information
- CAS No. 107582-20-7
- Cat. No. CS-W005147
- Purity ≥98%
- MDL No. MFCD04038589
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₀N₂O₂
- Molecular Weight 166.18
- Synonym(s) 2,3-Diamino-benzoic acid methyl ester
- SMILES COC(C1=C(C(=CC=C1)N)N)=O
Description
Methyl 2,3-diaminobenzoate features two amino groups ortho to each other on a benzoate scaffold, enabling versatile coupling reactions and coordination in transition metal complexes. This electron-rich scaffold supports efficient derivatization in synthetic and medicinal chemistry workflows under standard conditions.
Application
Methyl 2,3-diaminobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles and other nitrogen-containing heterocycles. Its dual amine functionality offers orthogonal reactivity for selective derivatization, while the methyl ester facilitates downstream transformations. The compound exhibits good bench stability and is readily purified by standard techniques, making it well-suited for scalable synthetic workflows.
Synthesis
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Route1
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In-stock
57113-91-4 - ~99%
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In-stock
107582-20-7
References
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SIRTRIS PHARMACEUTICALS, INC.; VU, Chi, B.; DISCH, Jeremy, S.; NG, Pui, Yee; BLUM, Charles, A.; PERNI, Robert, B. Patent: WO2010/3048 A1, 2010 ; Location in patent: Page/Page column 117 ; WO 2010/003048 A1
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Route2
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474708-09-3 - ~85%
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In-stock
107582-20-7
References
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TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: US2009/186879 A1, 2009 ; Location in patent: Page/Page column 50 ; US 20090186879 A1
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Route3
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In-stock
606-18-8 - ~%
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In-stock
107582-20-7
References
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Bioorganic and Medicinal Chemistry, , vol. 14, # 17 p. 6106 - 6119
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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 78.34
- LogP 0.6376
- H_Acceptors 4
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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