Lot numbers can be found on the outside label of a product:
Benzofuran-5-carboxylic acid
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CAS No. 90721-27-0
- Cat. No. CS-W005955
- Purity≥98%
- MDL No.MFCD01006742
*For research and further manufacturing use only, not for direct human use.
Structure of 90721-27-0
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General Information
- CAS No. 90721-27-0
- Cat. No. CS-W005955
- Purity ≥98%
- MDL No. MFCD01006742
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₆O₃
- Molecular Weight None
- Synonym(s) 1-Benzofuran-5-carboxylic acid
- SMILES OC(=O)C1=CC2=C(OC=C2)C=C1
Description
Benzofuran-5-carboxylic acid features a fused heterocyclic core with a carboxylic acid group at the 5-position, enabling direct conjugation in synthetic transformations. This electron-deficient scaffold integrates readily into bioactive molecule design, offering enhanced solubility and metabolic stability compared to simple aromatic acids.
Application
Benzofuran-5-carboxylic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct functionalization at the carboxyl group for amide, ester, or acyl chloride derivatization. Its fused heterocyclic structure provides enhanced rigidity and metabolic stability, making it valuable in API synthesis. The compound exhibits good bench stability, facilitates straightforward purification via recrystallization, and demonstrates compatibility with standard coupling reagents in peptide and macrocyclic scaffold construction.
Synthesis
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Route1
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In-stock
108763-47-9 - ~98%
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In-stock
90721-27-0
References
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PHARMACIA and UPJOHN COMPANY Patent: WO2004/39815 A2, 2004 ; Location in patent: Page 70 ; WO 2004/039815 A2
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Route2
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501892-56-4 -
In-stock
108763-47-9
- ~96%
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In-stock
90721-27-0
References
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Walker, Daniel Patrick; Piotrowski, David W.; Jacobsen, Eric Jon; Acker, Brad A.; Groppi JR., Vincent E. Patent: US2003/232853 A1, 2003 ; Location in patent: Page 39 ;
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Route3
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501892-55-3
- ~98%
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In-stock
90721-27-0
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501892-54-2
References
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Wishka, Donn G.; Walker, Daniel Patrick; Corbett, Jeffrey W.; Reitz, Steven Charles; Rauckhorst, Mark R.; Groppi JR., Vincent E. Patent: US2003/105089 A1, 2003 ; US 20030105089 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-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 50.44
- LogP 2.131
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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