Lot numbers can be found on the outside label of a product:
2-Amino-5-chloro-N,3-dimethylbenzamide
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CAS No. 890707-28-5
- Cat. No. CS-0153114
- Purity≥98%
- MDL No.MFCD09030601
*For research and further manufacturing use only, not for direct human use.
Structure of 890707-28-5
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General Information
- CAS No. 890707-28-5
- Cat. No. CS-0153114
- Purity ≥98%
- MDL No. MFCD09030601
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁ClN₂O
- Molecular Weight 198.65
- Synonym(s) 2-Amino-5-chloro-N,3-dimethylhenzamide
- SMILES CC1=CC(Cl)=CC(C(NC)=O)=C1N
Description
2-Amino-5-chloro-N,3-dimethylbenzamide features a chlorinated aromatic core with strategically positioned amine and dimethylamido groups, enabling precise functionalization in medicinal chemistry. The electron-withdrawing chlorine enhances reactivity at the adjacent position, while the N,3-dimethyl substitution improves solubility and metabolic stability. This scaffold integrates readily into diverse heterocyclic systems under standard coupling conditions.
Application
2-Amino-5-chloro-N,3-dimethylbenzamide serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted benzamides via standard coupling reactions. Its ortho-amino and chloro substituents provide orthogonal reactivity for sequential functionalization, while the N,3-dimethyl groups enhance metabolic stability and modulate solubility. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for high-throughput screening campaigns and API intermediate development.
Synthesis
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Route1
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201230-82-2 -
In-stock
146948-68-7 -
74-89-5
- ~68%
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In-stock
890707-28-5
References
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E. I. DU PONT DE NEMOURS AND COMPANY; KRISTJANSDOTTIR, Sigridur, Soley; SHAPIRO, Rafael; OBERHOLZER, Matthew, Richard Patent: WO2012/103436 A1, 2012 ; Location in patent: Page/Page column 26-28 ;
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Route2
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120374-68-7 -
74-89-5
- ~95%
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In-stock
890707-28-5
References
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E. I. DU PONT DE NEMOURS AND COMPANY Patent: WO2009/6061 A2, 2009 ; Location in patent: Page/Page column 28 ;
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Route3
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In-stock
870997-57-2 - ~71%
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In-stock
890707-28-5
References
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E.I. DUPONT DE NEMOURS AND COMPANY Patent: WO2006/62978 A1, 2006 ; Location in patent: Page/Page column 24 ;
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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-H312-H332
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 55.12
- LogP 1.59022
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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