53413-62-0

Basic information

• Product Name: 1-(4,5-dimethoxy-2-nitrobenzyl)-1H-pyrrole-2-carbaldehyde
• CAS NO: 53413-62-0
• Molecular Formula: C₁₄H₁₄N₂O₅
• Molecular Weight: 290.2714
• Mol File: 53413-62-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 471.8°C at 760 mmHg
• Flash Point: 239.1°C
• Density: 1.28g/cm³
• Vapor Pressure: 4.51E-09mmHg at 25°C
• Refractive Index: 1.577
• CAS DataBase Reference: 1-(4,5-dimethoxy-2-nitrobenzyl)-1H-pyrrole-2-carbaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4,5-dimethoxy-2-nitrobenzyl)-1H-pyrrole-2-carbaldehyde(53413-62-0)
• EPA Substance Registry System: 1-(4,5-dimethoxy-2-nitrobenzyl)-1H-pyrrole-2-carbaldehyde(53413-62-0)

Safety Data

• Hazardous Substances Data: 53413-62-0(Hazardous Substances Data)

Usage

Chemical structure

The compound consists of a pyrrole ring with a carbaldehyde group and a benzyl group attached.

Benzyl group

The benzyl group contains two methoxy groups and a nitro group.

Reactivity

The presence of the nitro group makes the compound highly reactive.

Potential toxicity

Due to its reactivity, the compound may be potentially toxic.

Applications

The compound has potential applications in organic synthesis and as a building block for the development of new drugs or materials.

Further research

The precise properties and potential uses of the compound would depend on further research and testing.

Molecular weight

Approximately 263.26 g/mol

Appearance

The compound is likely to be a solid, with a yellow or orange color.

Solubility

The compound may be soluble in organic solvents such as ethanol, methanol, or acetone, but its solubility in water is not specified.

Stability

The stability of the compound under various conditions (e.g., temperature, light, air) is not specified and would require further investigation.

Hazards

The compound may pose hazards due to its reactivity and potential toxicity, and appropriate safety measures should be taken when handling it.

Upstream product

• 1003-29-8 2-pyrrole aldehyde 
• 53413-67-5 6-nitroveratrylbromide 

Downstream Products

• 53478-80-1 7,8-dimethoxy-10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine 

Relevant articles and documents

Novel tricyclic diazepines tocolytic oxytocin receptor antagonists

This invention provides novel tricyclic diazepine compounds as well as methods and pharmaceutical compositions utilizing these compounds for the treatment and/or prevention and/or suppression of disorders which may be remedied or alleviated by oxytocin antagonist activity, including treatment of preterm labor, dysmenorrhea, endometritis, and for suppressing labor prior to caesarean delivery. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.

Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists

This invention provides novel substituted tricyclic pyridyl carboxamides which act as oxytocin receptor competitive antagonists, as well as methods of their manufacture, pharmaceutical compositions and methods of their use in treatment, inhibition, suppression or prevention of preterm labor, dysmenorrhea, endometritis, suppression of labor at term prior to caesarean delivery, and to facilitate antinatal transport to a medical facility. These compounds are also useful in enhancing fertility rates, enhancing survival rates and synchronizing estrus in farm animals; and may be useful in the prevention and treatment of disfunctions of the oxytocin system in the central nervous system including obsessive compulsive disorder (OCD) and neuropsychiatric disorders.