(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6,7-dimethoxy-4-[(4-nitrophenyl)amino]-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one

Base Information

Chemical Name:(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6,7-dimethoxy-4-[(4-nitrophenyl)amino]-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one
CAS No.:138355-94-9
Molecular Formula:C28H28 N2 O9
Molecular Weight:536.5299
Hs Code.:

(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6,7-dimethoxy-4-[(4-nitrophenyl)amino]-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one

Synonyms:Naphtho[2,3-c]furan-1(3H)-one,3a,4,9,9a-tetrahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-[(4-nitrophenyl)amino]-,[3aS-(3aa,4b,9a,9ab)]-

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6,7-dimethoxy-4-[(4-nitrophenyl)amino]-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one

Chemical Property:

Vapor Pressure:1.32E-23mmHg at 25°C
Boiling Point:755.2°C at 760 mmHg
Flash Point:410.6°C
Density:1.363g/cm³

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of (3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6,7-dimethoxy-4-[(4-nitrophenyl)amino]-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one

There total 4 articles about (3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-6,7-dimethoxy-4-[(4-nitrophenyl)amino]-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 52.0%

: 100-01-6,104810-17-5
4-nitro-aniline

: 18651-67-7
6,7-O,O-demethylene-6,7-O,O-dimethylpodophyllotoxin

: 138355-94-9
6,7-O,O-demethylene-6,7-O,O-dimethyl-4'-O-demethyl-4β-(4-nitroanilino)-4-desoxypodophyllotoxin

: 138355-90-5
6,7-O,O-demethylene-6,7-O,O-dimethyl-4β-(4-nitroanilino)-4-desoxypodophyllotoxin

Guidance literature:: 6,7-O,O-demethylene-6,7-O,O-dimethylpodophyllotoxin; With trimethylsilyl iodide; In 1,2-dichloro-ethane; at -20 - -10 ℃; for 6h;

4-nitro-aniline; With barium carbonate; In 1,2-dichloro-ethane; at 20 ℃; for 12h;
DOI:10.1016/j.bmc.2004.04.048

Reference yield:

: 6559-91-7
4'-demethylepipodophyllotoxin

: 138355-94-9
6,7-O,O-demethylene-6,7-O,O-dimethyl-4'-O-demethyl-4β-(4-nitroanilino)-4-desoxypodophyllotoxin

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / boron trichloride / CH₂Cl₂ / 1 h / -70 - -65 °C

2: 94 percent / diethyl ether; methanol / 3 h / Ambient temperature

3: 1.) HBr, 2.) barium carbonate / 1.) dichloromethane, RT, 14 h, 2.) 1,2-dichloroethane, RT, overnight

With hydrogen bromide; boron trichloride; barium carbonate; In methanol; diethyl ether; dichloromethane;
DOI:10.1021/jm00083a010

Reference yield:

: 138456-91-4
6,7-O,O-demethylene-4'-O-demethylepipodophyllotoxin

: 138355-94-9
6,7-O,O-demethylene-6,7-O,O-dimethyl-4'-O-demethyl-4β-(4-nitroanilino)-4-desoxypodophyllotoxin

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / diethyl ether; methanol / 3 h / Ambient temperature

2: 1.) HBr, 2.) barium carbonate / 1.) dichloromethane, RT, 14 h, 2.) 1,2-dichloroethane, RT, overnight

With hydrogen bromide; barium carbonate; In methanol; diethyl ether;
DOI:10.1021/jm00083a010