Lot numbers can be found on the outside label of a product:
Ethyl 3,4-diaminobenzoate
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CAS No. 37466-90-3
- Cat. No. CS-M1560
- Purity≥98%
- MDL No.MFCD00179337
*For research and further manufacturing use only, not for direct human use.
Structure of 37466-90-3
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General Information
- CAS No. 37466-90-3
- Cat. No. CS-M1560
- Purity ≥98%
- MDL No. MFCD00179337
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₂N₂O₂
- Molecular Weight 180.20
- Synonym(s) 3,4-Diaminobenzoic Acid Ethyl Ester
- SMILES NC1=C(N)C=CC(C(OCC)=O)=C1
Description
Ethyl 3,4-diaminobenzoate features a dual amine functionality flanking a carboxylate ester on a benzene ring, enabling direct incorporation into diverse synthetic scaffolds. This electron-rich aromatic core facilitates coupling reactions and serves as a key intermediate in the development of pharmaceuticals and functional materials.
Application
Ethyl 3,4-diaminobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, benzothiazoles, and other heterocyclic scaffolds. The ortho-diamino functionality facilitates cyclization reactions under mild conditions, while the ester group allows for selective derivatization. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for multi-step syntheses and process development.
Synthesis
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Route1
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64-17-5 -
In-stock
619-05-6 - ~89%
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In-stock
37466-90-3
References
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Shenyang J and Health Pharmaceutical Co., Ltd. Patent: EP2468730 A1, 2012 ; Location in patent: Page/Page column 13 ;
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Route2
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In-stock
84228-43-3 - ~%
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In-stock
37466-90-3
References
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Fujisawa Pharmaceutical Co., Ltd. Patent: US6352985 B1, 2002 ; Location in patent: Page column 83 ;
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Route3
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In-stock
619-05-6
- ~%
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In-stock
37466-90-3
References
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Eli Lilly and Company Patent: US4018790 A1, 1977 ;
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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 : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P362
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Quality Control
Computational Chemistry Data
- TPSA 78.34
- LogP 1.0277
- H_Acceptors 4
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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