ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate

Modify Date: 2024-01-09 18:47:53

ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate Structure
ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate structure
Common Name ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate
CAS Number 138355-95-0 Molecular Weight 563.59500
Density 1.292g/cm3 Boiling Point 750.6ºC at 760mmHg
Molecular Formula C31H33NO9 Melting Point N/A
MSDS N/A Flash Point 407.7ºC

 Names

Name ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.292g/cm3
Boiling Point 750.6ºC at 760mmHg
Molecular Formula C31H33NO9
Molecular Weight 563.59500
Flash Point 407.7ºC
Exact Mass 563.21600
PSA 121.78000
LogP 4.76420
Vapour Pressure 2.62E-23mmHg at 25°C
Index of Refraction 1.607

 Synthetic Route

~%

ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate Structure

ethyl 4-[[(3aS,...

CAS#:138355-95-0

Literature: Zhu, Xiao-Kang; Guan, Jian; Xiao, Zhiyan; Cosentino, L. Mark; Lee, Kuo-Hsiung Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 15 p. 4267 - 4273

~%

ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate Structure

ethyl 4-[[(3aS,...

CAS#:138355-95-0

Literature: Wang; Hu; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 871 - 877

~%

ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate Structure

ethyl 4-[[(3aS,...

CAS#:138355-95-0

Literature: Wang; Hu; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 871 - 877

~%

ethyl 4-[[(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzoate Structure

ethyl 4-[[(3aS,...

CAS#:138355-95-0

Literature: Wang; Hu; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 871 - 877

 Synonyms

6,7-O,O-demethylene-4'-O-demethylepipodophyllotoxin