6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol

Base Information

• Chemical Name: 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol
• CAS No.: 80666-03-1
• Molecular Formula: C₂₂H₂₅NO₇
• Molecular Weight: 415.443
• European Community (EC) Number: 279-528-0
• DSSTox Substance ID: DTXSID301001404
• Nikkaji Number: J320.298D
• Mol file: 80666-03-1.mol

Synonyms:80666-03-1;6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol;EINECS 279-528-0;AE-562/12222315;SCHEMBL17919517;DTXSID301001404;1,3-Dihydro-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)isobenzofuran-1-ol;6,7-Dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol;6,7-dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol

Chemical Property of 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol

Chemical Property:

• Vapor Pressure: 1.84E-12mmHg at 25°C
• Boiling Point: 539.3°Cat760mmHg
• Flash Point: 279.9°C
• PSA: 78.85000
• Density: 1.337g/cm³
• LogP: 2.67040
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 415.16310214
• Heavy Atom Count: 30
• Complexity: 608

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(O4)O)C(=C(C=C5)OC)OC)OC)OCO3

Technology Process of 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol

There total 2 articles about 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol 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:

noscapine (128-62-1) → (-)-narcotinehemiacetal (485319-76-4,80666-03-1) + (-)-narcotinediol (2725-94-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 2h;

DOI:10.1016/S0031-9422(00)81705-7

Reference yield:

3-O-acetylpapaveroxine → (-)-narcotinehemiacetal (485319-76-4,80666-03-1)

Guidance literature:

With CXE₁; In aq. buffer; at 30 ℃; for 0.25h; pH=8; Reagent/catalyst; Enzymatic reaction;

Reference yield:

(-)-narcotinehemiacetal (485319-76-4,80666-03-1) → noscapine (128-62-1)

Guidance literature:

With noscapine synthase; nicotinamide adenine dinucleotide; Reagent/catalyst; Kinetics; Catalytic behavior; Enzymatic reaction;

upstream raw materials:

noscapine

Downstream raw materials:

noscapine