7255-58-5

Basic information

• Product Name: diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate
• Synonyms: diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate;diethyl 2-((2-nitrophenylaMino)Methylene)Malonate
• CAS NO: 7255-58-5
• Molecular Formula: C₁₄H₁₆N₂O₆
• Molecular Weight: 308.29
• Mol File: 7255-58-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 100-101 °C
• Boiling Point: 395.7°C at 760 mmHg
• Flash Point: 193.1°C
• Appearance: /
• Density: 1.302g/cm³
• Vapor Pressure: 1.81E-06mmHg at 25°C
• Refractive Index: 1.575
• PKA: -4.97±0.70(Predicted)
• CAS DataBase Reference: diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate(CAS DataBase Reference)
• NIST Chemistry Reference: diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate(7255-58-5)
• EPA Substance Registry System: diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate(7255-58-5)

Safety Data

• Hazardous Substances Data: 7255-58-5(Hazardous Substances Data)

Usage

Description

Diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate is a chemical compound belonging to the propanedioate ester family, characterized by its molecular formula C15H18N2O6. Known for its bright yellow color, this compound is often utilized as a dye or coloring agent. Additionally, it serves as a reagent in organic synthesis and exhibits strong oxidizing properties, which makes it valuable in specific chemical reactions. Due to its potentially hazardous nature, it is crucial to handle this compound with care.

Uses

Used in Dye and Coloring Applications:
Diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate is used as a dye or coloring agent in various industries due to its bright yellow color, providing a vibrant hue to products.
Used in Organic Synthesis:
As a reagent in organic synthesis, diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate is employed to facilitate specific chemical reactions, contributing to the formation of desired products.
Used in Chemical Reactions as an Oxidizing Agent:
Diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate is used as a strong oxidizing agent in certain chemical reactions, enabling specific transformations that require oxidation processes.
Used in Research and Development:
In the field of research and development, diethyl 2-[[(2-nitrophenyl)amino]methylidene]propanedioate may be utilized to study its properties and potential applications, further expanding its use in various chemical and industrial processes.

InChI:InChI=1/C14H16N2O6/c1-3-21-13(17)10(14(18)22-4-2)9-15-11-7-5-6-8-12(11)16(19)20/h5-9,15H,3-4H2,1-2H3

Upstream product

• 88-74-4 2-nitro-aniline 
• 87-13-8 diethyl 2-ethoxymethylenemalonate 

Downstream Products

• 94110-86-8 ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 1415327-31-9 2-[(2-nitro-phenylamino)-methylene]-malonic acid monoethyl ester 
• 35973-25-2 4-hydroxy-8-nitroquinoline-3-carboxylic acid 

Relevant articles and documents

Insights into supramolecular assembly formation of diethyl aryl amino methylene malonate (DAM)derivatives assisted via non-covalent interactions

The crystal structures of four derivatives of diethyl 2-(((aryl)amino)methylene)malonate (DAM)have been studied by single crystal X-ray diffraction. The molecular structures of all the four derivatives were found to be in co-planar conformation. The detailed analysis of molecular conformation in four derivatives reveals the presence of a common strong intramolecular N–H?O hydrogen bonding, forming a ring of graph-set motif S1 1 (6). The effect of chloro and nitro substitution on their relative strengths of hydrogen bonding are analyzed here. Particularly, in compound 1, additional intramolecular hydrogen bonding between –NO2 and N–H was observed that results in the formation of another six-membered chelate ring. On the other hand in case of compound 3, we have observed type-I Cl?Cl interaction for the first time in this class of compounds. Further, Hirshfeld surface has been generated that is mapped with dnorm shape index and curvedness to summarize the weak interactions and examine the molecular shapes in all four derivatives. Effect of nitro (1 and 2)and chloro (3 and 4)substitution on the C?H, N?O and C?O interaction is highlighted in molecular contour and 2D fingerprint plots.

QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME

Provided is a quinoline derivative represented by the following Formula (1) for use in treating a caspase- mediated disease by inhibition of caspase-3 activity. Further provided are a method for preparing the quinoline derivative or a pharmaceutically acceptable salt thereof and a pharmaceutical composition containing the same.

QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME

The present invention relates to new quinoline derivatives of formula (1) or their pharmaceutically acceptable salts with caspase-3 inhibitory activity and their preparation methods, wherein R2 is H; halogen; C1-6alkyl; C 1-6 alkoxy; C1-6 alkoxyalkyl; or C3-6cycloalkyl; R1 is formula (a); -CN; or formula (b); R is H; C6-14aryl unsubstituted or substituted by halogen, C1-6 alkyl, C1-6 alkoxy or amino; 5 - 15 membered heterocyclic group unsubstituted or substituted by halogen, C1-6 alkyl, C1-6 alkoxy or amino; or -(CH2)n-CHR4R5. The present invention relates to a pharmaceutical composition for treating caspase-associated diseases by inhibiting the activity of caspase-3 which comprises the compound of formula (1) or its pharmaceutically acceptable salt.