423753-42-8

Basic information

• Product Name: 2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE
• Synonyms: 2,5-dimethyl-1-(3-nitrophenyl)pyrrole-3-carbaldehyde
• CAS NO: 423753-42-8
• Molecular Formula: C13H12N2O3
• Molecular Weight: 244.25
• Mol File: 423753-42-8.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE(423753-42-8)
• EPA Substance Registry System: 2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE(423753-42-8)

Safety Data

• Hazardous Substances Data: 423753-42-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE is used as a key intermediate in the synthesis of various pharmaceuticals, contributing to the development of new medications and therapeutic agents.
Used in Organic Compounds Production:
In the field of organic chemistry, 2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE is utilized as a building block for the production of a range of organic compounds, expanding the scope of chemical research and applications.
Used in Explosives and Dyes Manufacturing:
Leveraging its potent nitro group, 2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE is employed in the manufacturing of explosives and dyes, where its strong reactivity and color properties are advantageous.
Used as a Reagent in Organic Chemistry Research:
2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE is used as a reagent in research laboratories, where it aids in conducting experiments and advancing the understanding of organic chemistry processes.
Used in Chemical Education:
In educational settings, 2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE can be used as a teaching aid to demonstrate the properties and reactions of compounds containing nitro groups, enhancing the learning experience for students in chemistry-related fields.

Upstream product

• 110-13-4 2,5-hexanedione 
• 99-09-2 3-nitro-aniline 
• 32570-23-3 N-(3′-nitrophenyl)-2,5-dimethylpyrrole 
• 68-12-2 N,N-dimethyl-formamide 

Relevant articles and documents

Synthesis, structure and in vitro anti-trypanosomal activity of non-toxic arylpyrrole-based chalcone derivatives

With an intention of identifying chalcone derivatives exhibiting anti-protozoal activity, a cohort of relatively unexplored arylpyrrole-based chalcone derivatives were synthesized in moderate to good yields. The resultant compounds were evaluated in vitro for their potential activity against a cultured Trypanosoma brucei brucei 427 strain. Several compounds displayed mostly modest in vitro anti-trypanosomal activity with compounds 10e and 10h emerging as active candidates with IC50 values of 4.09 and 5.11 μM, respectively. More importantly, a concomitant assessment of their activity against a human cervix adenocarcinoma (HeLa) cell line revealed that these compounds are non-toxic.

Design and development of pyrrole carbaldehyde: An effective pharmacophore for enoyl-ACP reductase

Enoyl-ACP reductase is the key enzyme involved in FAS-II synthesis of mycolic acid in bacterial cell wall and is a promising target for discovering new chemical entity. The designed pharmacophores are the possible better tools to combat mutation in enoyl-ACP enzyme, which leads to a decrease in volume of triclosan binding site. Compound 3a showed H-bonding interactions similar to that of triclosan with enoyl-ACP enzyme and with a better docking score (C score 8.81), while the compound 3f showed additional interaction with MET98.H amino acid residue. The 3D-QSAR computations also support the docking study to develop novel pyrrole-based derivatives. Graphical abstract: Molecular docking 3D-QSAR studies and synthesis of active analogs of pyrrole carbaldehyde as better receptor fit pharmacophore for enoyl-ACP reductase along with in vitro antitubercular activity. (Figure Presented).