Lot numbers can be found on the outside label of a product:
5-Chlorobenzofuran-3(2H)-one
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CAS No. 3261-05-0
- Cat. No. CS-0199918
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 3261-05-0
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General Information
- CAS No. 3261-05-0
- Cat. No. CS-0199918
- Purity ≥96%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅ClO₂
- Molecular Weight 168.58
- Synonym(s) 5-Chlorobenzofuran-3-one
- SMILES C1=CC2=C(C=C1Cl)C(=O)CO2
Description
5-Chlorobenzofuran-3(2H)-one features a chlorinated benzofuran core with a ketone at the 3-position, delivering enhanced electronic density and metabolic stability. This scaffold serves as a key building block in medicinal chemistry, particularly for kinase inhibitors and bioactive heterocycles. The chlorine substituent enables favorable binding interactions in target proteins.
Application
5-Chlorobenzofuran-3(2H)-one serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its chlorine substituent enhances electrophilic reactivity, enabling palladium-catalyzed cross-coupling reactions. The lactone functionality provides stability and facilitates selective transformations, including nucleophilic ring-opening and derivatization under mild conditions. This compound functions effectively in synthetic sequences requiring bench-stable, orthogonally reactive scaffolds.
Synthesis
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Route1
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334758-22-4 - ~73%
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In-stock
3261-05-0
References
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Venkatesan, Aranapakam Mudumbai; Santos, Osvaldo Dos; Gu, Yansong Patent: US2005/4162 A1, 2005 ; Location in patent: Page/Page column 14 ; US 20050004162 A1
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Route2
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24483-75-8 - ~77%
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In-stock
3261-05-0
References
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DECODE CHEMISTRY, INC.; SINGH, Jasbir; GURNEY, Mark E. Patent: WO2005/123724 A1, 2005 ; Location in patent: Page/Page column 81 ;
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Route3
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670-62-2
- ~%
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In-stock
3261-05-0
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62755-94-6
References
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WO2010/100606 A1, ; Page/Page column 55-56 ; WO 2010/100606 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
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Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 1.9151
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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