2,3-Dimethoxy-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridine

Base Information

• Chemical Name: 2,3-Dimethoxy-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridine
• CAS No.: 41303-71-3
• Molecular Formula: C₂₀H₁₉NO₄
• Molecular Weight: 337.375
• NSC Number: 166718
• DSSTox Substance ID: DTXSID00304656
• ChEMBL ID: CHEMBL1889829
• Mol file: 41303-71-3.mol

Synonyms:MLS003106622;41303-71-3;NSC166718;CHEMBL1889829;DTXSID00304656;NSC-166718;SMR001821515

Chemical Property of 2,3-Dimethoxy-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridine

Chemical Property:

• Vapor Pressure: 1.08E-08mmHg at 25°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 337.13140809
• Heavy Atom Count: 25
• Complexity: 526

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C2C3CCC4=CC5=C(C=C4C3N=CC2=C1)OCO5)OC

Technology Process of 2,3-Dimethoxy-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridine

There total 2 articles about 2,3-Dimethoxy-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridine 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:

N-[6-(3,4-dimethoxy-phenyl)-5,6,7,8-tetrahydro-naphtho[2,3-d][1,3]dioxol-5-yl]-formamide (41303-70-2) → 2,3-dimethoxy-4b,5,6,11b-tetrahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine (41303-71-3)

Guidance literature:

With trichlorophosphate; In toluene;

Reference yield:

→ 2,3-dimethoxy-4b,5,6,11b-tetrahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine (41303-71-3)

Guidance literature:

With toluene; trichlorophosphate;

DOI:10.1039/jr9590004010

Reference yield:

2,3-dimethoxy-4b,5,6,11b-tetrahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine (41303-71-3) → nitidine chloride (13063-04-2)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium/charcoal

2: nitrobenzene

With palladium on activated charcoal; nitrobenzene;

DOI:10.1039/jr9590004010

upstream raw materials:

N-[6-(3,4-dimethoxy-phenyl)-5,6,7,8-tetrahydro-naphtho[2,3-d][1,3]dioxol-5-yl]-formamide

Downstream raw materials:

nornitidine

nitidine chloride

2,3-dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium; acetate

Nitidine methyl sulfate