4'-Demethyldeoxypodophyllotoxin

Base Information

• Chemical Name: 4'-Demethyldeoxypodophyllotoxin
• CAS No.: 3590-93-0
• Molecular Formula: C₂₁H₂₀O₇
• Molecular Weight: 384.386
• DSSTox Substance ID: DTXSID50189475
• Nikkaji Number: J15.139D
• Wikidata: Q27105498
• ChEMBL ID: CHEMBL89905
• Mol file: 3590-93-0.mol

Synonyms:4'-demethyldesoxypodophyllotoxin

Chemical Property of 4'-Demethyldeoxypodophyllotoxin

Chemical Property:

• PSA: 83.45000
• LogP: 2.61530
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 384.12090297
• Heavy Atom Count: 28
• Complexity: 583

Purity/Quality:

99% ^*data from raw suppliers

4''-Demethyldesoxypodophyllotoxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
• Uses: 4'-Demethyldesoxypodophyllotoxin is a flavonoid that exhibit inhibitory activity against human immunodeficiency virus reverse transcriptase and glycohydrolase.

Technology Process of 4'-Demethyldeoxypodophyllotoxin

There total 16 articles about 4'-Demethyldeoxypodophyllotoxin 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: 84.9%

deoxypodophyllotoxin (477-51-0,6258-33-9,17187-81-4,17301-90-5,19186-35-7,24150-39-8,31892-96-3,55568-81-5,64550-41-0,69222-20-4,75171-57-2,83023-41-0,100348-38-7) → 4'-demethyl-4-deoxypodophyllotoxin (3590-93-0,85440-15-9,123287-54-7,123287-57-0)

Guidance literature:

With hydrogen bromide; acetic acid; In 1,2-dichloro-ethane; for 8h; Ambient temperature;

DOI:10.1248/cpb.40.2720

Reference yield: 76.0%

<(dimethoxy-3,5 hydroxy-4 phenyl)hydroxymethyl>-2 (methylenedioxy-3,4 benzyl)-3 butanolide-4 (123287-52-5,123287-53-6,123287-55-8,123287-56-9) → (3aS,9R,9aS)-(+)-(dimethoxy-3',5' hydroxy-4' phenyl)-9 methylenedioxy-6,7 tetrahydro-3a,4,9,9a naphto <2,3-c> furannone-1 (3H) (3590-93-0,85440-15-9,123287-54-7,123287-57-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 3h; Ambient temperature;

DOI:10.1016/0040-4020(89)80041-9

Reference yield: 75.0%

<(dimethoxy-3,5 hydroxy-4 phenyl)hydroxymethyl>-2 (methylenedioxy-3,4 benzyl)-3 butanolide-4 (123287-52-5,123287-53-6,123287-55-8,123287-56-9) → (3aR,9S,9aR)-(-)-(dimethoxy-3',5' hydroxy-4' phenyl)-9 methylenedioxy-6,7 tetrahydro-3a,4,9,9a naphto <2,3-c> furannone-1 (3H) (3590-93-0,85440-15-9,123287-54-7,123287-57-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 5h; Ambient temperature;

DOI:10.1016/0040-4020(89)80041-9

upstream raw materials:

deoxypodophyllotoxin

4-demethylpodophyllotoxin

4'-demethylepipodophyllotoxin

podofilox

Downstream raw materials:

Acetylderivat des 4-Desmethyl-7'-dehydroxy-podophyllotoxins

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