1H-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-

Base Information

Chemical Name:1H-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-
CAS No.:125313-92-0
Deprecated CAS:443912-18-3
Molecular Formula:C22H16N4O4
Molecular Weight:400.38700
Hs Code.:
UNII:DNZ11VPY7Q
DSSTox Substance ID:DTXSID60154735
Nikkaji Number:J443.028J
Wikidata:Q27276500
NCI Thesaurus Code:C2507
Metabolomics Workbench ID:149526
ChEMBL ID:CHEMBL52885
Mol file:125313-92-0.mol

Synonyms:1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-;Ro 31-7453

Suppliers and Price of 1H-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-

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

Crysdot
3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dione 95%
10mg
$ 500.00

Chemenu
3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dione 95%
10mg
$ 468.00

American Custom Chemicals Corporation
MKC-1 95.00%
5MG
$ 504.82

Total 9 raw suppliers

Chemical Property of 1H-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-

Chemical Property:

Melting Point:173-174 °C
Boiling Point:714.5±60.0 °C(Predicted)
PKA:7.71±0.60(Predicted)
PSA：105.34000
Density:1.49±0.1 g/cm3(Predicted)
LogP:3.94450
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:400.11715500
Heavy Atom Count:30
Complexity:805

Purity/Quality:

97% ^*data from raw suppliers

3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dione 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)[N+](=O)[O-])C
Recent ClinicalTrials:Ro 31-7453 in Treating Patients With Locally Advanced or Metastatic Solid Tumor

Technology Process of 1H-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-

There total 5 articles about 1H-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)- 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:

: 3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)furan-2,5-dione

: 125313-92-0
3-(1-methyl-3-indolyl)-4-(1-methyl-6-nitro-3-indolyl)-1H-pyrrole-2,5-dione

Guidance literature:: With ammonium hydroxide; In N,N-dimethyl-formamide; at 140 ℃; for 3h;
DOI:10.1021/jm00079a024

Reference yield:

: 4769-96-4
6-nitroindole

: 125313-92-0
3-(1-methyl-3-indolyl)-4-(1-methyl-6-nitro-3-indolyl)-1H-pyrrole-2,5-dione

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) sodium hydride / 1.) DMF, 0 deg C, 30 min, 2.) DMF, RT, 16 h

2: CH₂Cl₂ / 3 h / Ambient temperature

3: triethylamine / CH₂Cl₂ / 16 h

4: 33percent aq. ammonia / dimethylformamide / 3 h / 140 °C

With ammonium hydroxide; sodium hydride; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00079a024

Reference yield:

: 99459-48-0
1-methyl-6-nitro-indole

: 125313-92-0
3-(1-methyl-3-indolyl)-4-(1-methyl-6-nitro-3-indolyl)-1H-pyrrole-2,5-dione

Guidance literature:: Multi-step reaction with 3 steps

1: CH₂Cl₂ / 3 h / Ambient temperature

2: triethylamine / CH₂Cl₂ / 16 h

3: 33percent aq. ammonia / dimethylformamide / 3 h / 140 °C

With ammonium hydroxide; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00079a024