2,6-Di(oxiran-2-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetraone

Base Information

• Chemical Name: 2,6-Di(oxiran-2-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetraone
• CAS No.: 23328-66-7
• Molecular Formula: C16H12 N2 O6
• Molecular Weight: 328.2763
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30371275
• Mol file: 23328-66-7.mol

Synonyms:23328-66-7;2,6-Di(oxiran-2-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetraone;2,6-bis(oxiran-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2,6-Bis(oxiran-2-ylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone;SCHEMBL1535702;DTXSID30371275;AKOS024366987;FT-0610524;A816677;W-206822;2,6-bis(2-oxiranylmethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone;2,6-Bis[(oxiran-2-yl)methyl]pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone;Benzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-tetrone,2,6-bis(oxiranylmethyl)-(9ci);2,6-BIS[(OXIRAN-2-YL)METHYL]-1H,2H,3H,5H,6H,7H-PYRROLO[3,4-F]ISOINDOLE-1,3,5,7-TETRONE;2,6-Di(oxiran-2-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolo[3,4-f] isoindole-1,3,5,7-tetraone

Chemical Property of 2,6-Di(oxiran-2-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetraone

Chemical Property:

• Vapor Pressure: 5.04E-13mmHg at 25°C
• Melting Point: 215-217 °C
• Boiling Point: 570.4 ºCat 760 mmHg
• PKA: -2.68±0.20(Predicted)
• Flash Point: 298.8 ºC
• PSA: 103.20000
• Density: 1.713 g/cm³
• LogP: -1.29000
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 328.06953611
• Heavy Atom Count: 24
• Complexity: 567

Purity/Quality:

97% ^*data from raw suppliers

2,6-DI(OXIRAN-2-YLMETHYL)-1,2,3,5,6,7-HEXAHYDROPYRROLO[3,4-F]ISOINDOLE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)CN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CC5CO5

Technology Process of 2,6-Di(oxiran-2-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetraone

There total 3 articles about 2,6-Di(oxiran-2-ylmethyl)-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetraone 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: 69.55%

pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone (2550-73-4) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → bis-N-glycidylpyromellitic diimide (23328-66-7)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; at 110 ℃; for 24h; Cooling with ice;

Reference yield:

pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone (2550-73-4) → bis-N-glycidylpyromellitic diimide (23328-66-7)

Guidance literature:

With sodium hydroxide; quaternary ammonium salt; Yield given. Multistep reaction; 1.) 60 - 116 deg C;

Reference yield:

→ bis-N-glycidylpyromellitic diimide (23328-66-7)

Guidance literature:

Pyromellitsaeurediimid (II), Epichlorhydrin (III);

upstream raw materials:

pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone

epichlorohydrin