Lot numbers can be found on the outside label of a product:
Acetophenone, 2',6'-dimethoxy-
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CAS No. 2040-04-2
- Cat. No. CS-0031663
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 2040-04-2
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General Information
- CAS No. 2040-04-2
- Cat. No. CS-0031663
- Purity ≥96%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₂O₃
- Molecular Weight 180.20
- Synonym(s) 2,6-Methoxy Acetophenone
- SMILES CC(C1=C(OC)C=CC=C1OC)=O
Description
1-(2,6-Dimethoxyphenyl)ethanone features a benzoyl core flanked by two methoxy groups at the 2- and 6-positions, enhancing solubility and electronic stability. This electron-rich scaffold serves as a key building block in medicinal chemistry, enabling efficient coupling reactions under standard conditions. The dimethoxy substitution pattern reduces reactivity toward nucleophiles while maintaining compatibility with diverse synthetic transformations.
Application
1-(2,6-Dimethoxyphenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive scaffolds through standard electrophilic functionalization and coupling reactions. Its ortho-dimethoxy substitution enhances solubility and modulates reactivity, while the ketone functionality offers reliable site-specific transformations. Bench-stable and readily purified, it facilitates scalable synthesis of heterocyclic systems and aromatic derivatives in API development workflows.
Synthesis
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Route1
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In-stock
699-83-2 -
74-88-4 - ~68%
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In-stock
2040-04-2
References
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SHIONOGI and CO., LTD. Patent: EP1422218 A1, 2004 ; Location in patent: Page 188 ;
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Route2
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In-stock
1466-76-8 -
75-05-8
- ~91%
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In-stock
2040-04-2
References
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Lindh, Jonas; Sjoeberg, Per J. R.; Larhed, Mats Angewandte Chemie - International Edition, 2010 , vol. 49, # 42 p. 7733 - 7737
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Route3
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99501-03-8
- ~97%
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In-stock
2040-04-2
References
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Chorghade, Rajeev; Battilocchio, Claudio; Hawkins, Joel M.; Ley, Steven V. Organic Letters, 2013 , vol. 15, # 22 p. 5698 - 5701
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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 35.53
- LogP 1.9064
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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