Lot numbers can be found on the outside label of a product:
Methyl 3-amino-2,5-dichlorobenzoate
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CAS No. 7286-84-2
- Cat. No. CS-0245736
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 7286-84-2
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General Information
- CAS No. 7286-84-2
- Cat. No. CS-0245736
- Purity ≥97%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇Cl₂NO₂
- Molecular Weight 220.05
- Synonym(s) Vegiben 2E
- SMILES COC(=O)C1=C(C(=CC(=C1)Cl)N)Cl
Description
Methyl 3-amino-2,5-dichlorobenzoate features a benzoate core with strategically positioned amino and dichloro substituents, enabling precise functionalization in medicinal chemistry. The electron-rich amine facilitates coupling reactions, while the ortho-chlorines enhance reactivity in cross-coupling processes. This bench-stable derivative integrates readily into complex molecular architectures under standard conditions.
Application
Methyl 3-amino-2,5-dichlorobenzoate serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted benzimidazoles and other heterocyclic scaffolds. Its amino and ester functionalities offer orthogonal reactivity for amide coupling, electrophilic substitution, and transition-metal-catalyzed cross-coupling reactions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic campaigns in API development.
Synthesis
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Route1
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In-stock
34408-25-8 - ~65%
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In-stock
7286-84-2
References
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EPIZYME, INC.; EISAI CO., LTD.; KUNTZ, Kevin, Wayne; CHESWORTH, Richard; DUNCAN, Kenneth, William; KEILHACK, Heike; WARHOLIC, Natalie; KLAUS, Christine; ZHENG, Wanjun Patent: WO2012/142513 A1, 2012 ; Location in patent: Page/Page column 280-281 ; WO 2012/142513 A1
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Route2
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67-56-1 -
In-stock
133-90-4 - ~98%
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In-stock
7286-84-2
References
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GLAXOSMITHKLINE LLC; BURGESS, Joelle, Lorraine; DUQUENNE, Celine; KNIGHT, Steven, David; MILLER, William, Henry; NEWLANDER, Kenneth, Allen; VERMA, Sharad, Kumar Patent: WO2013/173441 A2, 2013 ; Location in patent: Page/Page column 101; 102 ;
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Route3
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In-stock
88-86-8 - ~%
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In-stock
7286-84-2
References
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US6011059 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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.32
- LogP 2.3622
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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