Lot numbers can be found on the outside label of a product:
2-(2,5-Dichlorophenyl)acetic acid
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CAS No. 5398-79-8
- Cat. No. CS-0042646
- Purity≥98%
- MDL No.MFCD02664807
*For research and further manufacturing use only, not for direct human use.
Structure of 5398-79-8
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General Information
- CAS No. 5398-79-8
- Cat. No. CS-0042646
- Purity ≥98%
- MDL No. MFCD02664807
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆Cl₂O₂
- Molecular Weight 205.04
- Synonym(s) 2,5-Dichlorobenzeneacetic acid
- SMILES O=C(O)CC1=CC(Cl)=CC=C1Cl
Description
This acetic acid derivative features a 2,5-dichlorophenyl moiety that confers enhanced lipophilicity and metabolic stability. The ortho-chlorine substitution pattern enables favorable π-stacking interactions in binding assays. Bench-stable and readily incorporated into synthetic routes for pharmaceutical intermediates requiring halogenated aromatic motifs.
Application
2-(2,5-Dichlorophenyl)acetic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive compounds through standard carboxylic acid transformations. Its dichlorinated aromatic core provides enhanced metabolic stability and modulates lipophilicity, while the pendant acetic acid group facilitates derivatization via esterification, amidation, or coupling reactions. The compound exhibits good bench stability and is amenable to purification by recrystallization, making it well-suited for scalable synthesis workflows.
Synthesis
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Route1
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In-stock
3218-50-6 - ~93%
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In-stock
5398-79-8
References
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WO2013/96771 A1, ; Page/Page column 165 ;
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Route2
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In-stock
96129-66-7 - ~%
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In-stock
5398-79-8
References
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US6359151 B2, ; Page column 79 - 80 ;
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Route3
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In-stock
34145-05-6 - ~%
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In-stock
5398-79-8
References
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Phytochemistry (Elsevier), , vol. 27, # l p. 51 - 72
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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 37.3
- LogP 2.6205
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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