3-(4-Methoxyphenyl)iminoisoindol-1-amine

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)iminoisoindol-1-amine
• CAS No.: 104830-22-0
• Molecular Formula: C15H13 N3 O
• Molecular Weight: 0
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30368004
• Mol file: 104830-22-0.mol

Synonyms:3-(4-methoxyphenyl)iminoisoindol-1-amine;104830-22-0;(1Z)-1-[(4-METHOXYPHENYL)IMINO]-1H-ISOINDOL-3-AMINE;Enamine_000383;DTXSID30368004;HMS1395B09;AKOS003000594;SR-01000027096;SR-01000027096-1

Chemical Property of 3-(4-Methoxyphenyl)iminoisoindol-1-amine

Chemical Property:

• PSA: 59.97000
• LogP: 2.62830
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 251.105862047
• Heavy Atom Count: 19
• Complexity: 383

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=N2)N

Technology Process of 3-(4-Methoxyphenyl)iminoisoindol-1-amine

There total 5 articles about 3-(4-Methoxyphenyl)iminoisoindol-1-amine 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: 7.0%

4-methoxy-aniline (104-94-9) + 1-imino-1H-isoindol-3-amine (3468-11-9) → 1,3-bis-(4-methoxyphenyl)iminoisoindoline (88988-84-5,93593-68-1,89009-00-7,89009-01-8,54135-07-8) + Z-3-amino-1-(4-methoxyphenyl)imino-1H-isoindole (104830-22-0)

Guidance literature:

In ethanol; for 3h; Heating;

Reference yield:

4-methoxy-aniline (104-94-9) + phthalonitrile (91-15-6) → 1--1,3-diiminoisoindoline (104830-22-0)

Guidance literature:

With methanol; sodium methylate; at 40 - 50 ℃;

Reference yield:

N-(2-cyanobenzylidene)-4-methoxyaniline (104830-17-3) → isoindole-1,3-diylidenediamine (160956-25-2,160956-26-3,160956-27-4,160956-28-5,160956-29-6) + 1--1,3-diiminoisoindoline (104830-22-0)

Guidance literature:

With ammonia; sulfur; at 60 ℃; for 3h; Yield given; autoclave;

DOI:10.1246/cl.1985.1887

upstream raw materials:

4-methoxy-aniline

phthalonitrile

N-(2-cyanobenzylidene)-4-methoxyaniline

o-formylbenzonitrile

Downstream raw materials:

1,3-bis-(4-methoxyphenyl)iminoisoindoline