2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione

Base Information

• Chemical Name: 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione
• CAS No.: 7506-37-8
• Molecular Formula: C16H14 N2 O3
• Molecular Weight: 282.294
• NSC Number: 407096
• DSSTox Substance ID: DTXSID70324568
• Wikidata: Q82084288
• ChEMBL ID: CHEMBL3781731

Synonyms:7506-37-8;NSC 407096;2-(((4-methoxyphenyl)amino)methyl)isoindoline-1,3-dione;F0777-0692;1H-Isoindole-1,3(2H)-dione, 2-[[(4-methoxyphenyl)amino]methyl]-;2-[(4-methoxyanilino)methyl]isoindole-1,3-dione;NSC407096;2-[(4-Methoxy-phenylamino)-methyl]-isoindole-1,3-dione;CHEMBL3781731;DTXSID70324568;HMS1608G01;STK257587;AKOS000727788;NSC-407096;UPCMLD0ENAT5950883:001;SR-01000396394;SR-01000396394-1;2-[(4-methoxyanilino)methyl]-1H-isoindole-1,3(2H)-dione;2-{[(4-methoxyphenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione;2-{[(4-methoxyphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

Chemical Property of 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione

Chemical Property:

• Vapor Pressure: 1.6E-09mmHg at 25°C
• Boiling Point: 484°C at 760 mmHg
• Flash Point: 246.5°C
• Density: 1.334g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 282.10044231
• Heavy Atom Count: 21
• Complexity: 380

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: COC1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O

Technology Process of 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione

There total 2 articles about 2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione 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: 65.0%

phthalimide (136918-14-4,85-41-6) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-methoxy-aniline (104-94-9) → 2-(((4-methoxyphenyl)amino)methyl)isoindoline-1,3-dione (7506-37-8)

Guidance literature:

phthalimide; formaldehyd; In ethanol; water; Reflux;

4-methoxy-aniline; In ethanol; water; for 3h; Reflux;

DOI:10.1039/c5md00469a

Reference yield:

→ 2-(((4-methoxyphenyl)amino)methyl)isoindoline-1,3-dione (7506-37-8)

Guidance literature:

Phthalimid, 37percentig. Formaldehyd, p-Anisidin, A., Siedetemp.;

Reference yield: 69.0%

2-(((4-methoxyphenyl)amino)methyl)isoindoline-1,3-dione (7506-37-8) + acetyl chloride (75-36-5) → N-((1,3-dioxoisoindolin-2-yl)methyl)-N-(4-methoxyphenyl)acetamide

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 12h;

DOI:10.1039/c5md00469a

upstream raw materials:

phthalimide

formaldehyd

4-methoxy-aniline

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