3-(4-Chlorophenyl)-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione
• CAS No.: 125313-99-7
• Molecular Formula: C19H13ClN2O2
• Molecular Weight: 336.77
• DSSTox Substance ID: DTXSID90416131
• Nikkaji Number: J443.047F
• Wikidata: Q72457169
• ChEMBL ID: CHEMBL53873
• Mol file: 125313-99-7.mol

Synonyms:125313-99-7;3-(4-CHLOROPHENYL)-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE;3-(4-chlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione;(Phenylindolyl)maleimide deriv. 59;CHEMBL53873;BDBM2637;SCHEMBL8153807;DTXSID90416131;LGGVBRRKUKTEEO-UHFFFAOYSA-N;3-(1-Methyl-1H-indol-3-yl)-4-(4-chlorophenyl)-1H-pyrrole-2,5-dione;3-(4-chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

Chemical Property of 3-(4-Chlorophenyl)-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione

Chemical Property:

• Boiling Point: 574.1 °C at 760 mmHg
• Flash Point: 301 °C
• PSA: 54.59000
• Density: 1.38 g/cm³
• LogP: 3.67480
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 336.0665554
• Heavy Atom Count: 24
• Complexity: 580

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione ^*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=CC=C(C=C4)Cl

Technology Process of 3-(4-Chlorophenyl)-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione

There total 5 articles about 3-(4-Chlorophenyl)-4-(1-methyl-1H-indol-3-YL)-1H-pyrrole-2,5-dione 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: 68.0%

2-(4-chlorophenyl)acetamide (20101-92-2) + methyl 2-(1-methyl-1H-indol-3-yl)-2-oxoacetate (151490-40-3) → 3-(4-chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione (125313-99-7)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/acsmedchemlett.5b00044

Reference yield:

3-(4-Chloro-phenyl)-4-(1-methyl-1H-indol-3-yl)-furan-2,5-dione → 3-(4-chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione (125313-99-7)

Guidance literature:

With ammonium hydroxide; In N,N-dimethyl-formamide; at 140 ℃; for 3h;

DOI:10.1021/jm00079a024

Reference yield:

4-chlorophenylacetic Acid (1878-66-6) → 3-(4-chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione (125313-99-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / CH₂Cl₂ / 16 h

2: 33percent aq. ammonia / dimethylformamide / 3 h / 140 °C

With ammonium hydroxide; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm00079a024

upstream raw materials:

4-chlorophenylacetic Acid

1-methylindole-3-glyoxylyl chloride

2-(4-chlorophenyl)acetamide

methyl 2-(1-methyl-1H-indol-3-yl)-2-oxoacetate

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