Lot numbers can be found on the outside label of a product:
Methyl 3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate
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CAS No. 142166-01-6
- Cat. No. CS-W018995
- Purity≥98%
- MDL No.MFCD11848180
*For research and further manufacturing use only, not for direct human use.
![Methyl 3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate|CS-W018995](https://file.chemscene.com/productPIC/CS-W018995.gif)
Structure of 142166-01-6
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General Information
- CAS No. 142166-01-6
- Cat. No. CS-W018995
- Purity ≥98%
- MDL No. MFCD11848180
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₁NO₃
- Molecular Weight 193.20
- Synonym(s) Methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
- SMILES COC(=O)C1=CC=C2NCCOC2=C1
Description
Methyl 3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate is a bench-stable heterocyclic ester featuring a fused oxazine ring system with a strategically positioned carboxylate handle. This scaffold integrates readily into synthetic sequences requiring electron-rich aromatic platforms, enabling efficient derivatization in medicinal chemistry and materials development under standard conditions.
Application
Methyl 3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic applications. Its benzo[1,4]oxazine core enables reliable functionalization at the 7-position, while the ester group facilitates subsequent transformations such as hydrolysis, reduction, or coupling reactions. The scaffold exhibits good bench stability and compatibility with standard reaction conditions, making it well-suited for modular synthesis of bioactive compounds and API intermediates.
Synthesis
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Route1
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156578-96-0 - ~%
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In-stock
142166-01-6
References
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WO2005/39572 A1, ; Page/Page column 33 ;
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Route2
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In-stock
142166-00-5 - ~73%
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In-stock
142166-01-6
References
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Walker, Daniel P.; Wishka, Donn G.; Piotrowski, David W.; Jia, Shaojuan; Reitz, Steven C.; Yates, Karen M.; Myers, Jason K.; Vetman, Tatiana N.; Margolis, Brandon J.; Jacobsen, E. Jon; Acker, Brad A.; Groppi, Vincent E.; Wolfe, Mark L.; Thornburgh, Bruce A.; Tinholt, Paula M.; Cortes-Burgos, Luz A.; Walters, Rodney R.; Hester, Matthew R.; Seest, Eric P.; Dolak, Lester A.; Han, Fusen; Olson, Barbara A.; Fitzgerald, Laura; Staton, Brian A.; Raub, Thomas J.; Hajos, Mihaly; Hoffmann, William E.; Li, Kai S.; Higdon, Nicole R.; Wall, Theron M.; Hurst, Raymond S.; Wong, Erik H.F.; Rogers, Bruce N. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 24 p. 8219 - 8248
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Route3
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138035-71-9 - ~%
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In-stock
142166-01-6
References
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Bioorganic and Medicinal Chemistry, , vol. 14, # 24 p. 8219 - 8248
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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 47.56
- LogP 1.2775
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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