29644-92-6

Basic information

• Product Name: (6E)-4-nitro-6-[(pyridin-2(1H)-ylidenemethyl)imino]cyclohexa-2,4-dien-1-one
• CAS NO: 29644-92-6
• Molecular Formula: C₁₂H₉N₃O₃
• Molecular Weight: 243.2182
• Mol File: 29644-92-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 384.3°C at 760 mmHg
• Flash Point: 186.2°C
• Density: 1.34g/cm³
• Vapor Pressure: 4.13E-06mmHg at 25°C
• Refractive Index: 1.642
• CAS DataBase Reference: (6E)-4-nitro-6-[(pyridin-2(1H)-ylidenemethyl)imino]cyclohexa-2,4-dien-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: (6E)-4-nitro-6-[(pyridin-2(1H)-ylidenemethyl)imino]cyclohexa-2,4-dien-1-one(29644-92-6)
• EPA Substance Registry System: (6E)-4-nitro-6-[(pyridin-2(1H)-ylidenemethyl)imino]cyclohexa-2,4-dien-1-one(29644-92-6)

Safety Data

• Hazardous Substances Data: 29644-92-6(Hazardous Substances Data)

Usage

General Description

"(6E)-4-nitro-6-[(pyridin-2(1H)-ylidenemethyl)imino]cyclohexa-2,4-dien-1-one" is a chemical compound with a molecular formula C13H10N4O3. It is a yellow crystalline solid with a molecular weight of 266.24 g/mol. (6E)-4-nitro-6-[(pyridin-2(1H)-ylidenemethyl)imino]cyclohexa-2,4-dien-1-one is a derivative of cyclohexa-2,4-dien-1-one and contains a nitro group and a pyridine ring. It has potential applications in organic synthesis and pharmaceutical research due to its unique structure and potential reactivity. Further study and research are required to fully understand its properties and potential uses.

Upstream product

• 1121-60-4 pyridine-2-carbaldehyde 
• 99-57-0 2-hydroxy-5-nitroaniline 

Relevant articles and documents

FeII(pap-5NO2)2 and FeII(qsal-5NO2)2 schiff-base spin-crossover complexes: A rare example with photomagnetism and room-temperature bistability

We focus here on the properties of Fe complexes formed with Schiff bases involved in the chemistry of FeIII spin-transition archetypes. The neutral Fe(pap-5NO2)2 (1) and Fe(qsal-5NO2)2·Solv (2 and 2·Solv) compounds (Solv = 2H2O) derive from the reaction of FeII salts with the condensation products of pyridine-2-carbaldehyde with 2-hydroxy-5-nitroaniline (Hpap-5NO2) or 5-nitrosalicylaldehyde with quinolin-8-amine (Hqsal-5NO2), respectively. While the Fe(qsal-5NO2)2·Solv solid is essentially low spin (S = 0) and requires temperatures above 300 K to undergo a S = 0 → S = 2 spin-state switching, the Fe(pap-5NO2)2 one presents a strongly cooperative first-order transition (T→ = 291 K, T→ = 308 K) centered at room temperature associated with a photomagnetic effect at 10 K (TLIESST = 58 K). The investigation of these magnetic behaviors was conducted with single-crystal X-ray diffraction (1, 100 and 320 K; 2, 100 K), M?ssbauer, IR, UV-vis (1 and 2·Solv), and differential scanning calorimetry (1) measurements. The M?ssbauer analysis supports a description of these compounds as FeII Schiff-base complexes and the occurrence of a metal-centered spin crossover process. In comparison with FeIII analogues, it appears that an expanded coordination sphere stabilizes the valence 2+ state of the Fe ion in both complexes. Strong hydrogen-bonding interactions that implicate the phenolato group bound to FeII promote the required extra-stabilization of the S = 2 state and thus determines the spin transition of 1 centered at room temperature. In the lattice, the hydrogen-bonded sites form infinite chains interconnected via a three-dimensional network of intermolecular van der Waals contacts and π-π interactions. Therefore, the spin transition of 1 involves the synergetic influence of electrostatic and elastic interactions, which cause the enhancement of cooperativity and result in the bistability at room temperature.