2-Pyrrolidinone, 1-(3-((2-nitrobenzo(b)thien-3-yl)amino)propyl)-

Base Information

• Chemical Name: 2-Pyrrolidinone, 1-(3-((2-nitrobenzo(b)thien-3-yl)amino)propyl)-
• CAS No.: 128554-86-9
• Molecular Formula: C15H17 N3 O3 S
• Molecular Weight: 319.3788
• DSSTox Substance ID: DTXSID50155933
• Wikidata: Q83023926
• Mol file: 128554-86-9.mol

Synonyms:BRN 3566137;128554-86-9;2-Pyrrolidinone, 1-(3-((2-nitrobenzo(b)thien-3-yl)amino)propyl)-;1-(3-((2-Nitrobenzo(b)thien-3-yl)amino)propyl)-2-pyrrolidinone;DTXSID50155933;LS-138939

Chemical Property of 2-Pyrrolidinone, 1-(3-((2-nitrobenzo(b)thien-3-yl)amino)propyl)-

Chemical Property:

• Vapor Pressure: 5.2E-14mmHg at 25°C
• Boiling Point: 592.5°Cat760mmHg
• Flash Point: 312.1°C
• Density: 1.39g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 319.09906259
• Heavy Atom Count: 22
• Complexity: 429

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1)CCCNC2=C(SC3=CC=CC=C32)[N+](=O)[O-]

Technology Process of 2-Pyrrolidinone, 1-(3-((2-nitrobenzo(b)thien-3-yl)amino)propyl)-

There total 1 articles about 2-Pyrrolidinone, 1-(3-((2-nitrobenzo(b)thien-3-yl)amino)propyl)- 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:

1-(3-aminopropyl)-2-pyrrolidone (7663-77-6) + 3-bromo-2-nitro-1-benzothiophene (17402-78-7) → 1-[3-(2-Nitro-benzo[b]thiophen-3-ylamino)-propyl]-pyrrolidin-2-one (128554-86-9)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; Yield given;

Reference yield: 65.0%

2-oxo-propionic acid ethyl ester (617-35-6) + 1-[3-(2-Nitro-benzo[b]thiophen-3-ylamino)-propyl]-pyrrolidin-2-one (128554-86-9) → 3-Methyl-1-[3-(2-oxo-pyrrolidin-1-yl)-propyl]-1H-benzo[4,5]thieno[2,3-b]pyrazin-2-one

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; for 15h; Ambient temperature;

Reference yield: 47.0%

2-oxo-3-(phenyl)propionic acid (156-06-9) + 1-[3-(2-Nitro-benzo[b]thiophen-3-ylamino)-propyl]-pyrrolidin-2-one (128554-86-9) → 3-Benzyl-1-[3-(2-oxo-pyrrolidin-1-yl)-propyl]-1H-benzo[4,5]thieno[2,3-b]pyrazin-2-one

Guidance literature:

With hydrogen; palladium on activated charcoal; In acetic acid; for 15h; Ambient temperature;

upstream raw materials:

1-(3-aminopropyl)-2-pyrrolidone

3-bromo-2-nitro-1-benzothiophene

Refernces