Lot numbers can be found on the outside label of a product:
8-Methyl-1H-benzo[d][1,3]oxazine-2,4-dione
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CAS No. 66176-17-8
- Cat. No. CS-0034436
- Purity≥96%
- MDL No.MFCD03426399
*For research and further manufacturing use only, not for direct human use.
![8-Methyl-1H-benzo[d][1,3]oxazine-2,4-dione|CS-0034436](https://file.chemscene.com/productPIC/CS-0034436.gif)
Structure of 66176-17-8
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General Information
- CAS No. 66176-17-8
- Cat. No. CS-0034436
- Purity ≥96%
- MDL No. MFCD03426399
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO₃
- Molecular Weight 177.16
- Synonym(s) IFLAB-BB F1962-0230
- SMILES CC1=C2C(C(OC(N2)=O)=O)=CC=C1
Description
8-Methyl-1H-benzo[d][1,3]oxazine-2,4-dione features a fused oxazine core with strategically positioned methyl and carbonyl groups, enhancing its electron-deficient character and stability. This scaffold integrates readily into synthetic routes requiring a rigid, planar heterocyclic platform, particularly in medicinal chemistry and materials development.
Application
8-Methyl-1H-benzo[d][1,3]oxazine-2,4-dione serves as a versatile heterocyclic building block for medicinal chemistry and materials synthesis. Its fused oxazine core exhibits stability under standard reaction conditions and supports diverse functionalization at the 8-position. The molecule facilitates efficient coupling reactions and acts as a scaffold in the development of bioactive compounds, particularly those requiring planar, electron-deficient aromatic systems.
Synthesis
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Route1
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32315-10-9 -
In-stock
4389-45-1 - ~93%
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In-stock
66176-17-8
References
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Ou, Junjun; Zhu, Xiaokun; Wang, Lei; Xu, Chuan; Liu, Feng; Ren, Long; Xu, Xibao; Wang, Yi; Rui, Changhui; Liu, Shangzhong Journal of Agricultural and Food Chemistry, 2012 , vol. 60, # 44 p. 10942 - 10951
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Route2
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In-stock
4389-45-1
- ~94%
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In-stock
66176-17-8
References
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3-DIMENSIONAL PHARMACEUTICALS, INC. Patent: WO2003/99805 A1, 2003 ; Location in patent: Page 403 ;
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Route3
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75-44-5
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In-stock
4389-45-1
- ~93%
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In-stock
66176-17-8
References
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Sircar, Jagadish C.; Capiris, Thomas; Kesten, Stephen J.; Herzig, David J. Journal of Medicinal Chemistry, 1981 , vol. 24, # 6 p. 735 - 742
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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-H319
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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 63.07
- LogP 0.78972
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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