Lot numbers can be found on the outside label of a product:
2-(1,2-Benzisoxazol-3-yl)acetic acid
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CAS No. 4865-84-3
- Cat. No. CS-W017376
- Purity≥95%
- MDL No.MFCD02180388
*For research and further manufacturing use only, not for direct human use.
Structure of 4865-84-3
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General Information
- CAS No. 4865-84-3
- Cat. No. CS-W017376
- Purity ≥95%
- MDL No. MFCD02180388
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO₃
- Molecular Weight 177.16
- Synonym(s) SALOR-INT L157759-1EA
- SMILES O=C(O)CC1=NOC2=C1C=CC=C2
Description
This acetic acid derivative features a 1,2-benzisoxazole core that imparts high metabolic stability and enhanced membrane permeability. The para-positioned carboxylic acid group enables direct conjugation or derivatization in medicinal chemistry campaigns. The rigid heteroaromatic scaffold provides strong π-stacking potential, making it valuable for target engagement studies and probe development in chemical biology.
Application
2-(1,2-Benzisoxazol-3-yl)acetic acid serves as a versatile building block for constructing bioactive heterocyclic scaffolds. Its carboxylic acid functionality enables direct amidation, esterification, or derivatization under standard conditions. The benzisoxazole core provides metabolic stability and favorable pharmacophoric properties, making it valuable in medicinal chemistry campaigns targeting CNS agents and kinase inhibitors. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses and scale-up processes.
Synthesis
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Route1
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In-stock
1076-38-6 - ~97%
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In-stock
4865-84-3
References
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BATTULA, Srinivasa, Reddy Patent: WO2008/26217 A1, 2008 ; Location in patent: Page/Page column 4; 5-6 ;
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References
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American Cyanamid Company Patent: US5484763 A1, 1996 ;
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Route3
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In-stock
1076-38-6
- ~%
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1196-29-8 -
In-stock
4865-84-3
References
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WOCKHARDT LIMITED Patent: WO2005/44808 A1, 2005 ; Location in patent: Page/Page column 9 ;
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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+P364
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Quality Control
Computational Chemistry Data
- TPSA 63.33
- LogP 1.4549
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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