2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzenedione

Base Information

Chemical Name:2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzenedione
CAS No.:220042-15-9
Molecular Formula:C₂₁H₁₃N₅O₅S
Molecular Weight:447.431
Hs Code.:
UNII:44753Q54SE
DSSTox Substance ID:DTXSID10944608
Wikidata:Q27896447
Mol file:220042-15-9.mol

Synonyms:44753Q54SE;220042-15-9;2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzenedione;Benzamide, N-(5-(4-((4-nitrophenyl)amino)-3,6-dioxo-1,4-cyclohexadien-1-yl)-1,3,4-thiadiazol-2-yl)-;CCRIS 8419;2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzoquinone;2-(4-NITROPHENYLAMINO]-5-(3-BENZOYLAMINO-2,4,5-THIADIAZOLYL)-1,4-BENZOQUINONE;UNII-44753Q54SE;DTXSID10944608;Q27896447;N-(5-(4-((4-Nitrophenyl)amino)-3,6-dioxo-1,4-cyclohexadien-1-yl)-1,3,4-thiadiazol-2-yl)benzamide;N-{5-[4-(4-Nitroanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl}benzenecarboximidic acid

Suppliers and Price of 2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzenedione

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzenedione

Chemical Property:

Density:1.611g/cm³
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:447.06373971
Heavy Atom Count:32
Complexity:840

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC(=O)C(=CC3=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Technology Process of 2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzenedione

There total 5 articles about 2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzenedione 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: 64.2%

: 100-01-6,104810-17-5
4-nitro-aniline

: 220042-08-0
N-[5-(3,6-Dioxo-cyclohexa-1,4-dienyl)-[1,3,4]thiadiazol-2-yl]-benzamide

: 220042-15-9
N-{5-[4-(4-Nitro-phenylamino)-3,6-dioxo-cyclohexa-1,4-dienyl]-[1,3,4]thiadiazol-2-yl}-benzamide

Guidance literature:: With acetic acid; In ethanol; Heating;
DOI:10.1002/(SICI)1521-4184(199812)331:12<385::AID-ARDP385>3.0.CO;2-B

Reference yield:

: 15791-90-9
2,5-dihydroxybenzohydrazide

: 220042-15-9
N-{5-[4-(4-Nitro-phenylamino)-3,6-dioxo-cyclohexa-1,4-dienyl]-[1,3,4]thiadiazol-2-yl}-benzamide

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / ethanol / 0.5 h / Heating

2: 89 percent / H₂SO₄ / ethanol / 20 h / Ambient temperature

3: 95 percent / FeCl₃ / dimethylformamide / 0.25 h

4: 64.2 percent / glac. HOAc / ethanol / Heating

With sulfuric acid; iron(III) chloride; acetic acid; In ethanol; N,N-dimethyl-formamide;
DOI:10.1002/(SICI)1521-4184(199812)331:12<385::AID-ARDP385>3.0.CO;2-B

Reference yield:

: 532-55-8
Benzoyl isothiocyanate

: 220042-15-9
N-{5-[4-(4-Nitro-phenylamino)-3,6-dioxo-cyclohexa-1,4-dienyl]-[1,3,4]thiadiazol-2-yl}-benzamide

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / ethanol / 0.5 h / Heating

2: 89 percent / H₂SO₄ / ethanol / 20 h / Ambient temperature

3: 95 percent / FeCl₃ / dimethylformamide / 0.25 h

4: 64.2 percent / glac. HOAc / ethanol / Heating

With sulfuric acid; iron(III) chloride; acetic acid; In ethanol; N,N-dimethyl-formamide;
DOI:10.1002/(SICI)1521-4184(199812)331:12<385::AID-ARDP385>3.0.CO;2-B