N-[(E)-1,3-Benzodioxol-5-ylmethylidene]-4-methylaniline

Base Information

• Chemical Name: N-[(E)-1,3-Benzodioxol-5-ylmethylidene]-4-methylaniline
• CAS No.: 7402-58-6
• Molecular Formula: C15H13NO2
• Molecular Weight: 239.27
• NSC Number: 55348
• DSSTox Substance ID: DTXSID20288343
• Nikkaji Number: J1.368.308E
• Mol file: 7402-58-6.mol

Synonyms:7402-58-6;N-(Benzo[1,3]dioxol-5-ylmethylene)-p-tolyl-amine;NSC55348;N-[(E)-1,3-Benzodioxol-5-ylmethylidene]-4-methylaniline;DTXSID20288343;QXQWZMAEJYCEIG-CXUHLZMHSA-N;NSC-55348;AKOS024332685;N-(1,3-benzodioxol-5-ylmethylene)-4-methylaniline;N-[(E)-1,3-Benzodioxol-5-ylmethylidene]-4-methylaniline #

Chemical Property of N-[(E)-1,3-Benzodioxol-5-ylmethylidene]-4-methylaniline

Chemical Property:

• Vapor Pressure: 6.37E-06mmHg at 25°C
• Boiling Point: 389.5°C at 760 mmHg
• Flash Point: 153.2°C
• PSA: 30.82000
• Density: 1.16g/cm³
• LogP: 3.47430
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 239.094628657
• Heavy Atom Count: 18
• Complexity: 297

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: CC1=CC=C(C=C1)N=CC2=CC3=C(C=C2)OCO3

Technology Process of N-[(E)-1,3-Benzodioxol-5-ylmethylidene]-4-methylaniline

There total 2 articles about N-[(E)-1,3-Benzodioxol-5-ylmethylidene]-4-methylaniline 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: 84.0%

piperonol (495-76-1) + p-toluidine (106-49-0,12221-03-3) → 1-(benzo[d][1,3]dioxol-5-yl)-N-(p-tolyl)methaneimine (7402-58-6)

Guidance literature:

With C₁₉H₃₄MnN₃O₂P₂; In toluene; at 140 ℃; for 16h; Molecular sieve; Inert atmosphere;

DOI:10.1002/chem.201603148

Reference yield:

piperonal (120-57-0,30024-74-9) + p-toluidine (106-49-0,12221-03-3) → 1-(benzo[d][1,3]dioxol-5-yl)-N-(p-tolyl)methaneimine (7402-58-6)

Guidance literature:

Reference yield: 76.0%

benzophenone (119-61-9) + 1-(benzo[d][1,3]dioxol-5-yl)-N-(p-tolyl)methaneimine (7402-58-6) → 1,1-Diphenyl-2-(4'-methylphenylamino)-2-(3',4'-methylenedioxyphenyl)ethanol

Guidance literature:

With samarium; titanium tetrachloride; In tetrahydrofuran; at 60 ℃; for 2.5h;

DOI:10.1080/00304940009355952

upstream raw materials:

piperonal

p-toluidine

piperonol

Downstream raw materials:

(Z)-3-(2c-benzo[1,3]dioxol-5-yl-4-oxo-1-p-tolyl-azetidin-3r-ylamino)-but-2-enoic acid ethyl ester

1-(p-methylphenyl)-3-phenyl-4-(3',4'-methylenedioxyphenyl)-azetidin-2-one

1-(p-methylphenyl)-3-(3',4'-dimethoxyphenyl)-4-(3',4'-methylenedioxyphenyl)-azetidin-2-one

N-[(3S,4R,3'S,4'S)-4'-Benzo[1,3]dioxol-5-yl-4-(3,4-dimethoxy-phenyl)-2,2'-dioxo-1'-p-tolyl-[1,3']biazetidinyl-3-yl]-2-phenoxy-acetamide

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