30742-59-7

Usage

Uses

Used in Pharmaceutical Synthesis:
5-Nitro-2-pyrrolidin-1-ylbenzaldehyde is utilized as a precursor or intermediate in the synthesis of various pharmaceuticals. Its unique structure and reactivity make it a valuable component in the development of new drugs.
Used in Agrochemical Production:
In the agrochemical industry, 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde serves as a key intermediate in the creation of compounds used in agriculture to protect crops and enhance yields.
Used in Dye Manufacturing:
5-Nitro-2-pyrrolidin-1-ylbenzaldehyde is also employed in the production of dyes, where its chemical properties contribute to the color and stability of the final products.
Used in Organic Chemistry Research:
Due to its ability to undergo various chemical reactions, 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde is used in research settings to explore new reaction pathways and mechanisms in organic chemistry.

InChI:InChI=1/C11H12N2O3/c14-8-9-7-10(13(15)16)3-4-11(9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2

Upstream product

• 123-75-1 pyrrolidine 
• 109-97-7 pyrrole 
• 6361-21-3 2-chloro-5-nitrobenzaldehyde 
• 27996-87-8 2-fluoro-5-nitrobenzaldehye 

Downstream Products

• 58028-77-6 4-(5-nitro-2-pyrrolidin-1-yl-benzylidene)-2-phenyl-4H-oxazol-5-one 
• 135097-64-2 (E)-2-Cyano-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)-acrylic acid butyl ester 
• 1246760-73-5 C₁₂H₁₄N₂O₂ 
• 17615-42-8 1-pyrrolidino-4-nitro-2-cyanobenzene 
• 1374603-95-8 (5-nitro-2-(2-(phenylethynyl)pyrrolidin-1-yl)phenyl)methanol 
• 1361537-99-6 N-(5-nitro-2-(pyrrolidin-1-yl)benzylidene)-2-phenylaziridin-1-amine 
• 121003-80-3 <5-nitro-2-(1-pyrrolidinyl)phenylmethylene>propanedinitrile 

Relevant academic research and scientific papers

SYNTHESIS, CRYSTAL STRUCTURE, AND DFT STUDY OF 4-(2-CHLOROBENZYL)-1-(5-NITRO-2-(PYRROLIDIN-1-YL)PHENYL)- [1,2,4]TRIAZOLO[4,3-a]QUINAZOLIN-5(4H)-ONE

Abstract: 4-(2-Chlorobenzyl)-1-(5-nitro-2-(pyrrolidin-1-yl)phenyl)-[1,2,4]triazolo[4,3-a]quinazo-lin-5(4H)-one is a derivative of quinazolinones with antitumor, antibacterial, anti-inflammatory, and antimicrobial effects. Using diabetic jujube as a raw material, the title compound is synthesized by substitution and cyclization steps. The structure of the target compound is confirmed by FTIR, 1H and 13C NMR, and MS spectroscopies. The precise structure of the 4-(2-chlorobenzyl)-1-(5-nitro-2-(pyrrolidin-1-yl)phenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one compound is analyzed by single crystal X-ray diffraction (XRD). The molecular structure is further calculated using density functional theory (DFT) and the result is compared with the XRD value. The molecular electrostatic potential and frontier molecular orbitals of the title compound are investigated using DFT. In addition, the obtained atomic coordinates for the single crystal of the compound are then applied in a molecular docking simulation, and the title compound is found to participate in a number of important binding interactions in the SHP2 binding sites.

Facile Synthesis of Spirocyclic Tetrahydroquinolines via C(sp3)-H Functionalization in a Cascade Redox Process

An environmentally benign cascade redox process was developed for the efficient construction of the pharmaceutically significant spirocyclic tetrahydroquinolines via sequential SNAr/Knoevenagel condensation/[1,5]-hydride transfer/cyclization. This green t

Direct Intermolecular C-H Functionalization Triggered by 1,5-Hydride Shift: Access to N-Arylprolinamides via Ugi-Type Reaction

A novel Ugi-type reaction triggered by 1,5-hydride shift has been established, giving access to N-arylprolinamides and related compounds in high atom economy and good yields. This is an example of a two starting material-three component reaction. The benz

Construction of the tetrahydroquinoline spiro skeleton: Via cascade [1,5]-hydride transfer-involved C(sp3)-H functionalization "on water"

The pharmaceutically important tetrahydroquinoline spiro compounds were efficiently constructed via cascade SNAr/Knoevenagel condensation/[1,5]-hydride transfer/cyclization on water, featuring high atom-economy and step-economy. This water-base

PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS

The present invention relates to compounds that are useful as inhibitors of the activity of Wee-1 kinase. The present invention also relates to pharmaceutical compositions comprising these compounds and to methods of using these compounds in the treatment of cancer and methods of treating cancer.

Synthesis of fused indazole ring systems and application to nigeglanine hydrobromide

The single-step synthesis of fused tricyclic pyridazino[1,2-a]indazolium ring systems is described. Structural details revealed by crystallography explain the unexpected reactivity. The method is applied to the gram scale synthesis of nigeglanine hydrobro

Studies on electronic effects in O-, N- and S-chelated ruthenium olefin-metathesis catalysts

A short overview on the structural design of the Hoveyda-Grubbs-type ruthenium initiators chelated through oxygen, nitrogen or sulfur atoms is presented. Our aim was to compare and contrast O-, N- and S-chelated ruthenium complexes to better understand the impact of electron-withdrawing and -donating substituents on the geometry and activity of the ruthenium complexes and to gain further insight into the trans-cis isomerisation process of the S-chelated complexes. To evaluate the different effects of chelating heteroatoms and to probe electronic effects on sulfur- and nitrogen-chelated latent catalysts, we synthesised a series of novel complexes. These catalysts were compared against two well-known oxygen-chelated initiators and a sulfoxide-chelated complex. The structures of the new complexes have been determined by single-crystal X-ray diffraction and analysed to search for correlations between the structural features and activity. The replacement of the oxygen-chelating atom by a sulfur or nitrogen atom resulted in catalysts that were inert at room temperature for typical ring-closing metathesis (RCM) and cross-metathesis reactions and showed catalytic activity only at higher temperatures. Furthermore, one nitrogen-chelated initiator demonstrated thermo-switchable behaviour in RCM reactions, similar to its sulfur-chelated counterparts.