Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide

Base Information

• Chemical Name: Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide
• CAS No.: 63418-54-2
• Molecular Formula: C9H9NO3
• Molecular Weight: 179.175
• DSSTox Substance ID: DTXSID50405662
• Nikkaji Number: J1.931.788I

Synonyms:63418-54-2;Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide;DTXSID50405662

Chemical Property of Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.058243149
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[N+](=CC1=CC2=C(C=C1)OCO2)[O-]

Technology Process of Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide

There total 1 articles about Methanamine, N-(1,3-benzodioxol-5-ylmethylene)-, N-oxide 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:

dimethyl sulfate (77-78-1) + piperonal-(Z)-oxime (20747-42-6) → benzo[1,3]dioxol-5-ylmethylene-methyl-amine oxide (63418-54-2) + β-piperonal oxime O-methyl ether (33740-04-4)

Guidance literature:

With sodium hydroxide;

Reference yield: 98.0%

benzo[1,3]dioxol-5-ylmethylene-methyl-amine oxide (63418-54-2) + 4-trifluoromethylphenylethynyl sulfonyl fluoride → 3-(benzo[d][1,3]dioxol-5-yl)-2-methyl-5-(4-(trifluoromethyl)phenyl)-2,3-dihydroisoxazole-4-sulfonyl fluoride

Guidance literature:

In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1002/anie.202003219

Reference yield: 96.0%

benzo[1,3]dioxol-5-ylmethylene-methyl-amine oxide (63418-54-2) + 2-(3,4-diethoxyphenyl)ethyne-1-sulfonyl fluoride → 3-(benzo[d][1,3]dioxol-5-yl)-5-(3,4-diethoxyphenyl)-2-methyl-2,3-dihydroisoxazole-4-sulfonyl fluoride

Guidance literature:

In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1002/anie.202003219

upstream raw materials:

dimethyl sulfate

piperonal-(Z)-oxime

Downstream raw materials:

N-methylbenzo[d][1,3]dioxole-5-carboxamide

C₄₄H₄₅NO₈

C₄₄H₄₅NO₈

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