6H-Isoxazolo[3,4-d]azepine-6-carboxylicacid, 1,3,4,5,7,8-hexahydro-3-oxo-, ethyl ester

Modify Date: 2025-12-07 11:20:14

6H-Isoxazolo[3,4-d]azepine-6-carboxylicacid, 1,3,4,5,7,8-hexahydro-3-oxo-, ethyl ester Structure
6H-Isoxazolo[3,4-d]azepine-6-carboxylicacid, 1,3,4,5,7,8-hexahydro-3-oxo-, ethyl ester structure
Common Name 6H-Isoxazolo[3,4-d]azepine-6-carboxylicacid, 1,3,4,5,7,8-hexahydro-3-oxo-, ethyl ester
CAS Number 52196-98-2 Molecular Weight 226.22900
Density 1.32g/cm3 Boiling Point 351.8ºC at 760mmHg
Molecular Formula C10H14N2O4 Melting Point N/A
MSDS N/A Flash Point 166.5ºC

 Names

Name ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate

 Chemical & Physical Properties

Density 1.32g/cm3
Boiling Point 351.8ºC at 760mmHg
Molecular Formula C10H14N2O4
Molecular Weight 226.22900
Flash Point 166.5ºC
Exact Mass 226.09500
PSA 75.54000
LogP 0.46290
Index of Refraction 1.557
InChIKey XICYZCLNNSVLKJ-UHFFFAOYSA-N
SMILES CCOC(=O)N1CCc2[nH]oc(=O)c2CC1

 Synthetic Route

~%

6H-Isoxazolo[3,4-d]azepine-6-carboxylicacid, 1,3,4,5,7,8-hexahydro-3-oxo-, ethyl ester Structure

6H-Isoxazolo[3,...

CAS#:52196-98-2

Literature: Krogsgaard Larsen; Hjeds; Christensen andBrehm Acta Chemica Scandinavica, 1973 , vol. 27, # 9 p. 3251 - 3258
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