Lot numbers can be found on the outside label of a product:
1-(5-Bromofuran-2-yl)ethan-1-one
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CAS No. 3199-50-6
- Cat. No. CS-0215074
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 3199-50-6
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General Information
- CAS No. 3199-50-6
- Cat. No. CS-0215074
- Purity ≥97%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₅BrO₂
- Molecular Weight 189.01
- Synonym(s) Methyl 5-bromo-2-furyl ketone
- SMILES CC(=O)C1=CC=C(Br)O1
Description
1-(5-Bromofuran-2-yl)ethan-1-one features a brominated furan ring fused to an acetyl group, delivering high reactivity in cross-coupling and cyclization reactions. This bench-stable compound integrates readily into heterocyclic scaffolds, enabling efficient access to bioactive molecules in medicinal chemistry and materials science.
Application
1-(5-Bromofuran-2-yl)ethan-1-one serves as a versatile building block in heterocyclic synthesis, enabling direct functionalization at the furan ring via palladium-catalyzed cross-coupling reactions. The bromo substituent facilitates efficient C–C bond formation under standard Suzuki, Stille, or Negishi conditions, while the acetyl group provides a handle for further derivatization. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for constructing complex molecular architectures in medicinal chemistry and materials science workflows.
Synthesis
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Route1
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In-stock
1192-62-7 - ~62%
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In-stock
3199-50-6
References
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Boykin, David W.; Tidwell, Richard R.; Wilson, W. David; Ismail, Mohamed A. Patent: US2005/282853 A1, 2005 ; Location in patent: Page/Page column 15; 19 ;
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Route2
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75-16-1 -
179055-22-2 - ~99%
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In-stock
3199-50-6
References
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Haddach, Mustapha; Michaux, Jerome; Schwaebe, Michael K.; Pierre, Fabrice; O'Brien, Sean E.; Borsan, Cosmin; Tran, Joe; Raffaele, Nicholas; Ravula, Suchitra; Drygin, Denis; Siddiqui-Jain, Adam; Darjania, Levan; Stansfield, Ryan; Proffitt, Chris; MacAlino, Diwata; Streiner, Nicole; Bliesath, Joshua; Omori, May; Whitten, Jeffrey P.; Anderes, Kenna; Rice, William G.; Ryckman, David M. ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 2 p. 135 - 139
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Route3
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3199-47-1
- ~%
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15577-73-8 -
In-stock
3199-50-6
References
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Gilman et al. Journal of the American Chemical Society, 1931 , vol. 53, p. 4192,4196
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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 30.21
- LogP 2.2447
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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