30742-59-7

Basic information

• Product Name: 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde
• Synonyms: 5-NITRO-2-PYRROLIDIN-1-YL-BENZALDEHYDE;5-NITRO-2-(1-PYRROLIDINYL)BENZENECARBALDEHYDE
• CAS NO: 30742-59-7
• Molecular Formula: C₁₁H₁₂N₂O₃
• Molecular Weight: 220.22
• Mol File: 30742-59-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 136℃
• Boiling Point: 402.1 ºC at 760 mmHg
• Flash Point: 197 ºC
• Appearance: /
• Density: 1.314 g/cm³
• Vapor Pressure: 1.13E-06mmHg at 25°C
• Refractive Index: 1.632
• CAS DataBase Reference: 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde(30742-59-7)
• EPA Substance Registry System: 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde(30742-59-7)

Safety Data

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• HazardClass: IRRITANT
• Hazardous Substances Data: 30742-59-7(Hazardous Substances Data)

Usage

General Description

5-Nitro-2-pyrrolidin-1-ylbenzaldehyde is an organic chemical compound with a molecular formula C11H10N2O3. It is a yellow crystalline compound with a nitro group and a pyrrolidine moiety attached to a benzaldehyde ring. 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde is commonly used as a precursor or intermediate in the synthesis of various pharmaceuticals, agrochemicals, and dyes. It is important in organic chemistry reactions due to its ability to undergo nucleophilic addition and condensation reactions. Additionally, the nitro group in the compound can be reduced to an amine group, allowing for a wide variety of potential chemical modifications and applications in organic synthesis.

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

Downstream Products

• 58028-77-6 4-(5-nitro-2-pyrrolidin-1-yl-benzylidene)-2-phenyl-4H-oxazol-5-one 
• 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 
• 135064-81-2 (E)-ethyl α-cyano-2-(pyrrolidin-1-yl)-5-nitrocinnamate 
• 130084-34-3 (E)-5-Nitro-2-(1-pyrrolidinyl)benzaldoxim 

Relevant articles and documents

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.

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

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.