Methyl 1-(4,5-dimethoxy-2-nitrobenzoyl)pyrrole-2-carboxylate

Base Information

• Chemical Name: Methyl 1-(4,5-dimethoxy-2-nitrobenzoyl)pyrrole-2-carboxylate
• CAS No.: 82635-52-7
• Molecular Formula: C₁₅H₁₄N₂O₇
• Molecular Weight: 334.285
• NSC Number: 177994
• DSSTox Substance ID: DTXSID00306635
• Wikidata: Q82053826
• Mol file: 82635-52-7.mol

Synonyms:NSC177994;82635-52-7;DTXSID00306635;NSC-177994

Chemical Property of Methyl 1-(4,5-dimethoxy-2-nitrobenzoyl)pyrrole-2-carboxylate

Chemical Property:

• Vapor Pressure: 2.73E-09mmHg at 25°C
• Boiling Point: 477.7°Cat760mmHg
• Flash Point: 242.7°C
• Density: 1.36g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 334.08010079
• Heavy Atom Count: 24
• Complexity: 493

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)C(=O)N2C=CC=C2C(=O)OC)[N+](=O)[O-])OC

Technology Process of Methyl 1-(4,5-dimethoxy-2-nitrobenzoyl)pyrrole-2-carboxylate

There total 1 articles about Methyl 1-(4,5-dimethoxy-2-nitrobenzoyl)pyrrole-2-carboxylate 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:

methyl Pyrrole-2-carboxylate (1193-62-0) + 4,5-dimethoxy-2-nitrobenzoyl chloride (29568-78-3) → 1-(4,5-Dimethoxy-2-nitro-benzoyl)-1H-pyrrole-2-carboxylic acid methyl ester (82635-52-7)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) benzene, reflux, 2.) room temperature;

Reference yield:

1-(4,5-Dimethoxy-2-nitro-benzoyl)-1H-pyrrole-2-carboxylic acid methyl ester (82635-52-7) → 7,8-Dimethoxy-10H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11-dione (82635-56-1)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; Yield given. Multistep reaction; 1.) ethyl acetate, room temperature, atmospheric pressure, 2.) MeOH, reflux;

upstream raw materials:

methyl Pyrrole-2-carboxylate

4,5-dimethoxy-2-nitrobenzoyl chloride

Downstream raw materials:

7,8-Dimethoxy-10H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11-dione