(NE)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine

Base Information

• Chemical Name: (NE)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine
• CAS No.: 41349-30-8
• Molecular Formula: C₁₉H₁₉NO₅
• Molecular Weight: 341.364
• NSC Number: 168200
• DSSTox Substance ID: DTXSID80424780
• Mol file: 41349-30-8.mol

Synonyms:MLS003106689;41349-30-8;NSC168200;DTXSID80424780;NSC-168200

Chemical Property of (NE)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine

Chemical Property:

• Vapor Pressure: 4.59E-12mmHg at 25°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 341.12632271
• Heavy Atom Count: 25
• Complexity: 498

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2CCC3=CC4=C(C=C3C2=NO)OCO4)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)C\2CCC3=CC4=C(C=C3/C2=N/O)OCO4)OC

Technology Process of (NE)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine

There total 2 articles about (NE)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine 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:

2-(3,4-dimethoxyphenyl)-6,7-methylenedioxy-3,4-dihydronaphthalen-1(2H)-one (41303-46-2) → 2-(3,4-dimethoxyphenyl)-6,7-methylenedioxy-3,4-dihydronaphthalene-1(2H)-oneoxime (41349-30-8)

Guidance literature:

With pyridine; hydroxylamine hydrochloride;

Reference yield:

→ 2-(3,4-dimethoxyphenyl)-6,7-methylenedioxy-3,4-dihydronaphthalene-1(2H)-oneoxime (41349-30-8)

Guidance literature:

Naphthalinon VII, Hydroxylamin-hydrochlorid, Pyridin, Ethanol;

Reference yield: 60.0%

2-(3,4-dimethoxyphenyl)-6,7-methylenedioxy-3,4-dihydronaphthalene-1(2H)-oneoxime (41349-30-8) → 1-amino-6,7-methylenedioxy-2-(3,4-dimethoxyphenyl)naphthalene (154490-62-7)

Guidance literature:

With hydrogenchloride; In acetic acid; at 100 ℃; for 5h;

DOI:10.1016/S0040-4020(01)80559-7

upstream raw materials:

2-(3,4-dimethoxyphenyl)-6,7-methylenedioxy-3,4-dihydronaphthalen-1(2H)-one

Downstream raw materials:

6-(3,4-dimethoxy-phenyl)-7,8-dihydro-6H-naphtho[2,3-d][1,3]dioxol-5-one O-acetyl-oxime

8,9-dimethoxy-6-methyl-2,3-methylenedioxybenzophenanthridine

1-amino-6,7-methylenedioxy-2-(3,4-dimethoxyphenyl)naphthalene

N-acetyl-1-amino-2-(3,4-dimethoxyphenyl)-6,7-methylenedioxynaphthalene