(E)-1-(2H-1,3-Benzodioxol-5-yl)-N-ethylmethanimine

Base Information

• Chemical Name: (E)-1-(2H-1,3-Benzodioxol-5-yl)-N-ethylmethanimine
• CAS No.: 80985-00-8
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• DSSTox Substance ID: DTXSID80595505
• Nikkaji Number: J1.878.045C
• Mol file: 80985-00-8.mol

Synonyms:80985-00-8;SCHEMBL4449591;(E)-1-(2H-1,3-Benzodioxol-5-yl)-N-ethylmethanimine;DTXSID80595505

Chemical Property of (E)-1-(2H-1,3-Benzodioxol-5-yl)-N-ethylmethanimine

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN=CC1=CC2=C(C=C1)OCO2

Technology Process of (E)-1-(2H-1,3-Benzodioxol-5-yl)-N-ethylmethanimine

There total 2 articles about (E)-1-(2H-1,3-Benzodioxol-5-yl)-N-ethylmethanimine 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-(benzylidene)ethylamine (6852-54-6) + piperonal N-benzylimine (130517-95-2,54089-45-1) → N-benzylidene tert-butylamine (6852-58-0) + N-benzylidene benzylamine (780-25-6) + 3,4-methylenedioxybenzylideneethylamine (80985-00-8) + N-(benzo[1,3]dioxol-5-ylmethylene)-tert-butylamine (396717-28-5)

Guidance literature:

In toluene; at 80 ℃; for 24h; Catalytic behavior; Schlenk technique; Glovebox;

DOI:10.1021/acs.organomet.7b00115

Reference yield:

N-(benzylidene)ethylamine (6852-54-6) + piperonal N-benzylimine (130517-95-2,54089-45-1) → C6H3OCH2OCHNC6H3(CH(CH3)2)2 (882866-11-7) + N-benzylidene benzylamine (780-25-6) + N-(2,6-diisopropylphenyl)-1-phenylmethanimine (117696-79-4) + 3,4-methylenedioxybenzylideneethylamine (80985-00-8)

Guidance literature:

In toluene; at 80 ℃; for 50h; Catalytic behavior; Schlenk technique; Glovebox;

DOI:10.1021/acs.organomet.7b00115

Reference yield: 94.0%

piperonal-ethylimine (80985-00-8) + ethylmagnesium bromide (925-90-6) + benzyl chloroformate (501-53-1,94274-21-2) → (1-benzo[1,3]dioxol-5-yl-propyl)-ethyl-carbamic acid benzyl ester

Guidance literature:

With indium(III) chloride; copper(l) chloride; In tetrahydrofuran; acetonitrile; at 65 ℃; for 36h;

DOI:10.1021/ol060277p

upstream raw materials:

N-(benzylidene)ethylamine

piperonal N-benzylimine

Downstream raw materials:

N-ethylpiperonylamine

[PdCl(CH(C₆H₃O₂CH₂)N(CH₂CH₃)C(C₆H₅)O)]2

5-benzo[1,3]dioxol-5-yl-3-benzyl-1-ethyl-2-(4-methoxyphenyl)-4-p-tolyl-3-imidazolinium-4-carboxylate