4138-40-3

Basic information

• Product Name: Benzenamine, 4-nitro-N-2-propenyl-
• CAS NO: 4138-40-3
• Molecular Formula: C9H10N2O2
• Molecular Weight: 178.191
• Mol File: 4138-40-3.mol
• Article Data: 17

Chemical Properties

• Melting Point: 68.2-69.2 °C
• Boiling Point: 316.7±25.0 °C(Predicted)
• Density: 1?+-.0.06 g/cm3(Predicted)
• CAS DataBase Reference: Benzenamine, 4-nitro-N-2-propenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenamine, 4-nitro-N-2-propenyl-(4138-40-3)
• EPA Substance Registry System: Benzenamine, 4-nitro-N-2-propenyl-(4138-40-3)

Safety Data

• Hazardous Substances Data: 4138-40-3(Hazardous Substances Data)

Upstream product

• 100-01-6 4-nitro-aniline 
• 107-05-1 3-chloroprop-1-ene 
• 107-18-6 allyl alcohol 
• 100-00-5 4-chlorobenzonitrile 
• 107-11-9 1-amino-2-propene 
• 106-95-6 allyl bromide 
• 119803-83-7 allyl pheny telluroxide 
• 15022-08-9 diallylcarbonate 
• 1516-60-5 4-nitrophenyl azide 
• 636-98-6 p-nitrobenzene iodide 

Downstream Products

• 1620758-91-9 2-(4-nitrophenyl)-2,3-dihydroisothiazole 1,1-dioxide 
• 1620758-79-3 N-allyl-N-(4-nitrophenyl)ethenesulfonamide 
• 1431610-58-0 N-(2-fluoropropyl)-4-nitroaniline 
• 27392-71-8 1-(6-amino-3,4-dihydroquinolin-1(2H)-yl)ethanone 
• 14026-46-1 1-(1,2,3,4-tetrahydro-6-nitroquinolinyl)ethanone 
• 1431610-62-6 N-(3-fluoropropyl)-4-nitroaniline 
• 14026-45-0 6-nitro-1,2,3,4-tetrahydroquinoline 
• 1380442-10-3 N-(2-deuteropropyl)-4-nitroaniline 
• 1380442-11-4 N-(3-deuteropropyl)-4-nitroaniline 
• 103796-64-1 (4-nitrophenyl)-N-propylamine 
• 1361121-52-9 C₉H₁₀N₂O₂ 
• 100-01-6 4-nitro-aniline 
• 115210-54-3 2-methyl-5-nitroindoline 

Relevant articles and documents

Promiscuity and selectivity in covalent enzyme inhibition: A systematic study of electrophilic fragments

Covalent ligand-target interactions offer significant pharmacological advantages. However, off-target reactivity of the reactive groups, which usually have electrophilic properties, must be minimized, and the selectivity of irreversible inhibitors is a crucial requirement. We therefore performed a systematic study to determine the selectivity of several electrophilic groups that can be used as building blocks for covalently binding ligands. Six reactive groups with modulated electrophilicity were combined with 11 nonreactive moieties, resulting in a small combinatorial library of 72 fragment-like compounds. These compounds were screened against a group of 11 enzyme targets to assess their selectivity and their potential for promiscuous binding to proteins. The assay results showed a considerably lower degree of promiscuity than initially expected, even for those members of the screening collection that contain supposedly highly reactive electrophiles.

New ligands for copper-catalyzed C-N coupling reactions with aryl halides

2-Carbomethoxy-3-hydroxyquinoxaline-di-N-oxide was identified as an efficient novel ligand for the copper-catalyzed coupling reactions of aryl iodides, bromides, and chlorides with aliphatic amines and N-containing heterocycles under mild conditions. The catalytic system showed great functional-group tolerance and excellent chemoselectivity. 7copy; 2012 Elsevier Ltd. All rights reserved.

Selective N-alkylation of arylamines with alkyl chloride in ionic liquids: Scope and applications

An efficient N-selective alkylation of primary aromatic amines in molten quaternary ammonium salts, as the solvent, under relatively mild and base-free conditions is presented. On the basis of the Kamlet-Taft parameters and the nucleophilicity of the IL (ionic liquid) anions, the influence of the ionic liquid was evaluated. This protocol was validated on a larger multigram scale and with the syntheses of bioactive heterocycles (e.g., 1,4-benzothiazine and quinoxalines) and new efficient MALDI matrixes. Copyright