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

Modify Date: 2024-02-05 01:46:46

(3aS,4S,9R,9aR)-4-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one Structure
(3aS,4S,9R,9aR)-4-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one structure
Common Name (3aS,4S,9R,9aR)-4-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
CAS Number 138355-97-2 Molecular Weight 509.52300
Density 1.32g/cm3 Boiling Point 696.4ºC at 760 mmHg
Molecular Formula C28H28FNO7 Melting Point N/A
MSDS N/A Flash Point 375ºC

 Names

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

 Chemical & Physical Properties

Density 1.32g/cm3
Boiling Point 696.4ºC at 760 mmHg
Molecular Formula C28H28FNO7
Molecular Weight 509.52300
Flash Point 375ºC
Exact Mass 509.18500
PSA 95.48000
LogP 4.72660
Vapour Pressure 4.87E-20mmHg at 25°C
Index of Refraction 1.613

 Synthetic Route

~%

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

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

CAS#:138355-97-2

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

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

CAS#:138355-97-2

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

~%

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

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

CAS#:138355-97-2

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

~%

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

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

CAS#:138355-97-2

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