3-Iminoisoindolinone

Base Information

• Chemical Name: 3-Iminoisoindolinone
• CAS No.: 14352-51-3
• Molecular Formula: C8H6N2O
• Molecular Weight: 146.148
• Hs Code.: 2933790090
• European Community (EC) Number: 238-314-7
• Nikkaji Number: J2.723.236A,J28.640K
• Mol file: 14352-51-3.mol

Synonyms:3-Iminoisoindolinone;14352-51-3;3-Iminoisoindolin-1-one;3-aminoisoindol-1-one;Iminophthalimidine;3-Iminophthalimidine;Phthalimide monoimine;EINECS 238-314-7;3-Imino-2,3-dihydroisoindol-1-one;160956-19-4;3-imino-2,3-dihydro-1h-isoindol-1-one;2,3-Dihydro-3-imino-1H-isoindol-1-one;1H-Isoindol-3-ol,1-imino-,(E)-(9CI);aminoisoindolone;3-Iminoisoindolinone, 97%;SCHEMBL160837;3-imino-2,3-dihydro-isoindol-1-one;AKOS000160592;AKOS005169788;3-imino-2, 3-dihydro-isoindol-1-one;(1-Oxoisoindoline-2-ide)-3-ylideneiminium;LS-109528;EN300-43093;AB00999666-01;J-007827;Z316121514

Chemical Property of 3-Iminoisoindolinone

Chemical Property:

• Vapor Pressure: 0.000113mmHg at 25°C
• Melting Point: 208-210 °C(lit.)
• Refractive Index: 1.707
• Boiling Point: 336.3 °C at 760 mmHg
• Flash Point: 157.2 °C
• PSA: 52.95000
• Density: 1.41 g/cm³
• LogP: 1.18390
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.048012819
• Heavy Atom Count: 11
• Complexity: 222

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Iminoisoindolin-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NC2=O)N

Technology Process of 3-Iminoisoindolinone

There total 18 articles about 3-Iminoisoindolinone 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: 100.0%

phthalodiimidic acid dimethyl ester; compound with GENERIC INORGANIC NEUTRAL COMPONENT → 3-iminoisoindolinone (14352-51-3)

Guidance literature:

With ammonia; In ethanol; at -20 ℃;

DOI:10.1021/jo049802t

Reference yield: 88.0%

methyl 2-cyanobenzoate (6587-24-2) → 3-amino-1H-isoindole-1-one (14352-51-3)

Guidance literature:

With ammonia; sodium methylate; In methanol; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2019.06.038

Reference yield: 82.0%

o-cyanobenzamide (17174-98-0) → 3-iminoisoindolinone (14352-51-3)

Guidance literature:

With methanol; sodium; In methanol; for 0.166667h; Heating;

upstream raw materials:

o-cyanobenzamide

phthalonitrile

methyl 2-cyanobenzoate

isoindole-1,3-diylidenediamine

Downstream raw materials:

(Z)-2,3-dihydro-3-(2-hydroxy-5-methoxy-phenylmethylene)-(1H)-isoindolinone

3-(p-tolylimino)-isoindolinone

(Z)-2,3-dihydro-3-(2-hydroxy-phenylmethylene)-(1H)-isoindolinone

1-[3-Oxo-2,3-dihydro-isoindol-(1Z)-ylidene]-3-phenyl-urea