Lot numbers can be found on the outside label of a product:
2-Amino-5-chloro-3-methylbenzoic acid
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CAS No. 20776-67-4
- Cat. No. CS-W002940
- Purity≥97%
- MDL No.MFCD02358895
*For research and further manufacturing use only, not for direct human use.
Structure of 20776-67-4
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General Information
- CAS No. 20776-67-4
- Cat. No. CS-W002940
- Purity ≥97%
- MDL No. MFCD02358895
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈ClNO₂
- Molecular Weight 185.61
- Synonym(s) 5-Chloro-3-methylanthranilic Acid
- SMILES Clc1cc(C)c(c(c1)C(=O)O)N
Description
2-Amino-5-chloro-3-methylbenzoic acid features a trifunctional aromatic core with electron-donating amine and methyl groups paired with an electron-withdrawing chlorine, enabling tailored reactivity in pharmaceutical intermediates. The carboxylic acid moiety facilitates direct coupling or derivatization under standard conditions. This scaffold exhibits excellent stability and solubility in common organic solvents, supporting seamless integration into multi-step synthesis workflows.
Application
2-Amino-5-chloro-3-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted benzimidazoles and other heterocyclic scaffolds. Its ortho-amino and carboxylic acid functionalities facilitate efficient coupling reactions and cyclizations, while the chloro and methyl groups provide defined electronic and steric profiles for targeted derivatization. The compound exhibits good bench stability and is compatible with standard purification methods.
Synthesis
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Route1
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In-stock
4389-45-1 - ~99%
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In-stock
20776-67-4
References
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Ou, Junjun; Zhu, Xiaokun; Wang, Lei; Xu, Chuan; Liu, Feng; Ren, Long; Xu, Xibao; Wang, Yi; Rui, Changhui; Liu, Shangzhong Journal of Agricultural and Food Chemistry, 2012 , vol. 60, # 44 p. 10942 - 10951
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Route2
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14389-06-1 - ~76%
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In-stock
20776-67-4
References
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PHARMACIA CORPORATION Patent: WO2004/87686 A2, 2004 ; Location in patent: Page 249 ; Title/Abstract Full Text Show Details PHARMACIA CORPORATION Patent: WO2004/87687 A1, 2004 ; Location in patent: Page 249 ; WO 2004/087687 A1
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Route3
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95-53-4 - ~%
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In-stock
20776-67-4
References
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Chinese Journal of Chemistry, , vol. 30, # 8 p. 1748 - 1758
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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 : H317
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Precautionary Statements : P261-P272-P280-P302+P352-P363-P501
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Quality Control
Computational Chemistry Data
- TPSA 63.32
- LogP 1.92882
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Other Classifications
- Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Amino Acid Derivatives
- Chemical Biology Pharmaceutical Development and Drug Discovery Research Peptide Chemistry Unnatural Amino Acid Derivatives
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Key Words
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