1,3-Benzodioxole, 5-(methoxymethoxy)-

Base Information

• Chemical Name: 1,3-Benzodioxole, 5-(methoxymethoxy)-
• CAS No.: 111726-43-3
• Molecular Formula: C9H10O4
• Molecular Weight: 182.176
• DSSTox Substance ID: DTXSID00443357
• Nikkaji Number: J1.417.979H
• Wikidata: Q82261115
• Mol file: 111726-43-3.mol

Synonyms:111726-43-3;1,3-Benzodioxole, 5-(methoxymethoxy)-;5-(Methoxymethoxy)benzo[d][1,3]dioxole;5-(methoxymethoxy)-1,3-benzodioxole;5-(methoxymethoxy)-2H-1,3-benzodioxole;SCHEMBL767827;DTXSID00443357;CS-M2923;5-methoxymethoxy-benzo[1,3]dioxole;AKOS037650457;CS-14839;C12804

Chemical Property of 1,3-Benzodioxole, 5-(methoxymethoxy)-

Chemical Property:

• Boiling Point: 260.6±28.0 °C(Predicted)
• PSA: 36.92000
• Density: 1.235±0.06 g/cm3(Predicted)
• LogP: 1.39800
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99%, ^*data from raw suppliers

5-(Methoxymethoxy)-1,3-benzodioxole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCOC1=CC2=C(C=C1)OCO2

Technology Process of 1,3-Benzodioxole, 5-(methoxymethoxy)-

There total 7 articles about 1,3-Benzodioxole, 5-(methoxymethoxy)- 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: 99.0%

Sesamol (533-31-3) + chloromethyl methyl ether (107-30-2) → 3,4-(methylenedioxy)phenyl methoxymethyl ether (111726-43-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; 1.) 0 deg C, 30 min, 2.) 0 deg C, 3 h;

Reference yield: 97.0%

chloromethyl methyl ether (107-30-2) → 3,4-(methylenedioxy)phenyl methoxymethyl ether (111726-43-3)

Guidance literature:

Sesamol; With sodium hydride; In tetrahydrofuran; DMF (N,N-dimethyl-formamide); at 0 - 20 ℃; for 0.5h;

chloromethyl methyl ether; In tetrahydrofuran; DMF (N,N-dimethyl-formamide); at 20 ℃; for 1h;

Reference yield: 80.0%

Sesamol (533-31-3) + bromethyl methyl ether (13057-17-5) → 3,4-(methylenedioxy)phenyl methoxymethyl ether (111726-43-3)

Guidance literature:

Sesamol; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃;

bromethyl methyl ether; In N,N-dimethyl-formamide; at 0 ℃; for 12h;

DOI:10.1021/jacs.9b13117

upstream raw materials:

Sesamol

chloromethyl methyl ether

3,4-methylenedioxyphenyl formate

piperonal

Downstream raw materials:

4-hydroxy-5-(methoxymethoxy)-1,3-benzodioxole

4-phenylmethylthio-5-methoxymethoxy-1,3-benzodioxole

4-phenylthio-5-methoxymethoxy-1,3-benzodioxole

ethyl (3S)-hydroxy-3-(6-methoxy-7-methyl-benzo[d][1,3]dioxol-5-yl)-2-(4-methylphenylsulfonyloxy)-(2R)-propionate

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