1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-

Base Information

Chemical Name:1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-
CAS No.:77762-98-2
Molecular Formula:C₃₀H₃₄N₄O₄
Molecular Weight:514.624
Hs Code.:
DSSTox Substance ID:DTXSID10228379
Nikkaji Number:J62.211G
Wikidata:Q83108362

Synonyms:BRN 5677514;1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-;77762-98-2;DTXSID10228379;LS-32170;N,N'-Bis[4-(hexahydro-1H-azepin-1-yl)-2-butynyl]benzene-1,2:4,5-bis(dicarbimide)

Suppliers and Price of 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-

Chemical Property:

Vapor Pressure:3.26E-19mmHg at 25°C
Boiling Point:695.9°Cat760mmHg
Flash Point:296.5°C
Density:1.267g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:514.25800558
Heavy Atom Count:38
Complexity:949

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCCN(CC1)CC#CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CC#CCN5CCCCCC5

Technology Process of 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-

There total 2 articles about 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)- 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: 28.0%

: 111-49-9
hexamethylene imine

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 18158-82-2
2,6-di-prop-2-ynyl-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone

: 77762-98-2
2,6-Bis-(4-azepan-1-yl-but-2-ynyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone

Guidance literature:: With copper(l) chloride; In 1,4-dioxane; for 3h; Heating;

Reference yield:

: 2550-73-4
pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone

: 77762-98-2
2,6-Bis-(4-azepan-1-yl-but-2-ynyl)-pyrrolo[3,4-f]isoindole-1,3,5,7-tetraone

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) potassium hydroxide, 65 percent alcohol / 1.) DMF, 1 h, r.t.; 2.) DMF, 70-80 deg C, 16 h

2: 28 percent / cuprous chloride / dioxane / 3 h / Heating

With potassium hydroxide; ethanol; copper(l) chloride; In 1,4-dioxane;