Ethyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate

Name: Ethyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate
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CAS No. 1038478-70-4
Cat. No. CS-0508956
Molecule weight221.21
Purity≥98%
MDL No.None

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Ethyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate|CS-0508956

Structure of 1038478-70-4

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General Information

CAS No. 1038478-70-4
Cat. No. CS-0508956
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₁NO₄
Molecular Weight 221.21
Synonym(s) Ethyl3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
SMILES O=C(C1=CC=C2NC(COC2=C1)=O)OCC

Synthesis

Route1
- 87081-52-5
- 79-04-9
- ~92%
- 1038478-70-4
References
- Ilas, Janez; Kikelj, Danijel Helvetica Chimica Acta, 2008 , vol. 91, # 4 p. 654 - 664
Route2
- 87081-52-5
- 105-36-2
- ~%
- 1038478-70-4
References
- Zidar, Nace; Kikelj, Danijel Tetrahedron, 2008 , vol. 64, # 24 p. 5756 - 5761

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 64.63
LogP 1.1942
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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Ethyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate

CAS No. 1038478-70-4

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Synthesis

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