(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

Modify Date: 2024-01-10 20:31:19

(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one Structure
(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one structure
Common Name (3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
CAS Number 138355-94-9 Molecular Weight 536.53000
Density 1.363g/cm3 Boiling Point 755.2ºC at 760 mmHg
Molecular Formula C28H28N2O9 Melting Point N/A
MSDS N/A Flash Point 410.6ºC

 Names

Name (3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

 Chemical & Physical Properties

Density 1.363g/cm3
Boiling Point 755.2ºC at 760 mmHg
Molecular Formula C28H28N2O9
Molecular Weight 536.53000
Flash Point 410.6ºC
Exact Mass 536.17900
PSA 141.30000
LogP 5.01890
Vapour Pressure 1.32E-23mmHg at 25°C
Index of Refraction 1.634

 Synthetic Route

~53%

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

(3aS,4S,9R,9aR)...

CAS#:138355-94-9

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

~%

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

(3aS,4S,9R,9aR)...

CAS#:138355-94-9

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

~%

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

(3aS,4S,9R,9aR)...

CAS#:138355-94-9

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

~%

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

(3aS,4S,9R,9aR)...

CAS#:138355-94-9

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