1460-05-5

Usage

Uses

Used in Pharmaceutical Industry:
(4-NITRO-PHENYL)-ACETALDEHYDE is used as a synthetic intermediate for the production of various pharmaceutical compounds. Its reactivity and functional groups make it a valuable component in the development of new drugs and medicinal agents.
Used in Agrochemical Industry:
In the agrochemical sector, (4-NITRO-PHENYL)-ACETALDEHYDE serves as a key intermediate in the synthesis of different agrochemicals, contributing to the development of pesticides and other agricultural chemicals that enhance crop protection and yield.
Used in Dye and Pigment Production:
(4-NITRO-PHENYL)-ACETALDEHYDE is utilized as a building block in the creation of dyes and pigments, playing a crucial role in the coloration of various products, including textiles, plastics, and paints.
Safety Considerations:
Given its classification as a hazardous substance, (4-NITRO-PHENYL)-ACETALDEHYDE requires careful handling to prevent irritation to the skin, eyes, and respiratory system. Proper safety measures should be implemented during its production, use, and disposal to minimize potential health risks.

InChI:InChI=1/C8H7NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,6H,5H2

Upstream product

• 100-13-0 4-nitrostyrene 
• 1222-98-6 4-nitrochalcone 
• 100-11-8 1-bromomethyl-4-nitro-benzene 
• 2344-80-1 Chloromethyltrimethylsilane 
• 108-05-4 vinyl acetate 
• 456-27-9 4-nitrobenzenediazonium tetrafluoroborate 
• 16921-36-1 3-(4-aminophenyl)-2-oxopropanoic acid 
• 38335-24-9 3-(4-nitrophenyl)-2-oxopropanoic acid 
• 555-21-5 4-Nitrophenylacetonitrile 
• 619-73-8 4-nitrobenzyl chloride 
• 100-01-6 4-nitro-aniline 
• 2945-08-6 methyl (4-nitrophenyl)acetate 
• 104-03-0 4-nitrobenzeneacetic acid 
• 99-99-0 1-methyl-4-nitrobenzene 

Downstream Products

• 134485-50-0 2-<(4-nitrophenyl)methyl>-1,3-dioxolane 
• 215321-50-9 [(1Z,3E)-2,4-Bis-(4-nitro-phenyl)-buta-1,3-dienyl]-carbamic acid naphthalen-2-ylmethyl ester 
• 266675-56-3 2-(4-nitrophenyl)-1,3-dibromo-2-(bromomethyl)propane 
• 1244060-89-6 O-tert-butyl-2-(4-nitrophenyl)acetaldehyde oxime 
• 1253183-40-2 tert-butyl 3-(4-nitrobenzyl)-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazole-5(4H)-carboxylate 
• 163759-15-7 N-hydroxy-2-(4-nitrophenyl)acetimidoyl chloride 
• 1338733-07-5 5-methyl-3-(4-nitrobenzyl)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole 
• 1338732-62-9 5-hydroxymethyl-3-(4-methoxybenzyl)-4,5-dihydroisoxazole 
• 1338732-70-9 5-hydroxymethyl-3-(4-nitrobenzyl)-4,5-dihydroisoxazole methanesulfonate 
• 1338733-11-1 5-(N,N-dimethylaminomethyl)-3-(4-nitrobenzyl)-4,5-dihydroisoxazole hydrochloride 
• 1338732-78-7 5-(N,N-dimethylaminomethyl)-3-(4-nitrobenzyl)-4,5-dihydroisoxazole 
• 1338733-14-4 5-(N,N-dimethylaminomethyl)-3-(4-aminobenzyl)-4,5-dihydroisoxazole hydrochloride 
• 1338732-84-5 5-(N,N-dimethylaminomethyl)-3-(4-aminobenzyl)-4,5-dihydroisoxazole 
• 1338733-16-6 5-methyl-3-(4-nitrobenzyl)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole hydrochloride 

Relevant academic research and scientific papers

β-Lactone formation during product release from a nonribosomal peptide synthetase

Nonribosomal peptide synthetases (NRPSs) are multidomain modular biosynthetic assembly lines that polymerize amino acids into a myriad of biologically active nonribosomal peptides (NRPs). NRPS thioesterase (TE) domains employ diverse release strategies for off-loading thioester-tethered polymeric peptides from termination modules typically via hydrolysis, aminolysis, or cyclization to provide mature antibiotics as carboxylic acids/esters, amides, and lactams/lactones, respectively. Here we report the enzyme-catalyzed formation of a highly strained β-lactone ring during TE-mediated cyclization of a β-hydroxythioester to release the antibiotic obafluorin (Obi) from an NRPS assembly line. The Obi NRPS (ObiF) contains a type I TE domain with a rare catalytic cysteine residue that plays a direct role in β-lactone ring formation. We present a detailed genetic and biochemical characterization of the entire Obi biosynthetic gene cluster in plant-associated Pseudomonas fluorescens ATCC 39502 that establishes a general strategy for β-lactone biogenesis.

Synthesis method of phenylacetaldehyde derivative

The present invention discloses a synthesis method of phenylacetaldehyde derivative, a benzaldehyde derivative is adopted as a raw material, an intermediate 2-methoxyvinylphenyl derivative is obtained through synthesis, then the phenylacetaldehyde derivative is obtained through synthesis, and the substituent group R of the benzaldehyde derivative includes but is not limited to m-methyl, m-ethyl, m-nitrile group, p-methyl, o-methyl, o-nitro and 2, 6-dimethyl. The synthesis process is simple, synthesis conditions are mild, post-treatment is relatively simple, and industrial production is easy; the universality is good, and substrates with different functional groups are compatible; the yield is considerable, part of compounds are almost quantitatively converted, and the requirement of atom economy is met.

Preparation method of mirabegron

The invention discloses a preparation method of mirabegron, and the method comprises: S1, carrying out reduction reaction on p-nitrophenylacetonitrile to obtain p-nitrophenylacetaldehyde; S2, carryingout condensation reduction on the p-nitrophenylacetaldehyde and (R) 2-amino-1-phenethyl alcohol to obtain (R) 2-(4-nitrophenethyl) amino)-1-phenyl ethyl alcohol; S3, carrying out reduction on the (R)2-amino-1-phenethyl alcohol to obtain (R) 2-(4-nitrophenethyl) amino)-1-phenyl ethyl alcohol to obtain an intermediate (R) 2-((4-aminophenyl ethyl) amino)-1-phenyl ethyl alcohol; and S4, carrying outcondensation on the (R) 2-((4-aminophenyl ethyl) amino)-1-phenyl ethyl alcohol and aminothiazole acetic acid to obtain the mirabegron. According to the method, the starting raw materials are cheap and easy to obtain, the reaction conditions are controllable, the synthetic route steps are few, the yield is high, the cost is low, and the prepared mirabegron is high in purity.

Copper-Catalyzed Ring-Opening/Reconstruction of Anthranils with Oxo-Compounds: Synthesis of Quinoline Derivatives

A copper-catalyzed protocol for the construction of various 2-aryl(alkyl)-3-acylquinolines or 3-arylquinolines using readily available anthranils and 1,3-diketones or aldehydes as starting materials is reported herein. Dioxygen as the sole oxidant and hexafluoroisopropanol as the solvent play an important role in both procedures. This ring-opening/reconstruction strategy involving N-O bond cleavage and C-N/C-C bond formation features high yields and broad substrate scope.

Facile Access to Challenging ortho-Terphenyls via Merging Two Multi-Step Domino Reactions in One-Pot: A Joint Experimental/Theoretical Study

ortho-Terphenyls are of high interest for medicinal chemistry and materials science, but they are difficult to access. Herein, we demonstrate a straightforward and sustainable synthesis of highly functionalized ortho-terphenyls via joining an organocatalyzed two-step domino reaction (Knoevenagel/vinylogous Michael) with a DABCO/CuBr2 co-catalyzed three-step domino reaction (cyclization/tautomerization/aromatization) in a one-pot process. Overcoming necessity to isolate intermediate products leads to a reduction of energy, costs and waste for a broad scope of reactions. DFT calculations have been performed to investigate the thermodynamics of this one-pot process towards ortho-terphenyls and to study the reaction profile of the vinylogous Michael reaction under inclusion of solvent effects. Role of London dispersion forces in this transformation has been elucidated. It is shown that reaction kinetics and thermodynamics are slightly influenced by dispersion interactions. Furthermore, the addition of dispersion energy donors leads to small changes of reaction energies in some cases.

Tetradentate amido azo Schiff base Cu(II), Ni(II) and Pd(II) complexes: Synthesis, characterization, spectral properties, and applications to catalysis in C–C coupling and oxidation reaction

New Schiff base ligands (H2L1 & H2L2) were synthesized by the reaction of salicylaldehyde with (2-((2-aminophenyl)diazenyl)-N-alkylaniline), and were used for the preparation of complexes with Cu(II), Ni(II) and Pd(II) metal ions. The structural features of the synthesized compounds were examined by UV–Vis, IR and 1H NMR spectroscopy. The crystal structures of Schiff base (H2L1) and two metal complexes Cu(L1) and Ni(L2) were determined by single crystal X-ray diffraction. The studies revealed that the synthesized Schiff bases existed as tetradentate (N,N,N,O) ligands and bonded to the metal ions through the donor atoms of the amido nitrogen, azo nitrogen, azomethine nitrogen and phenolic oxygen atoms. The redox property of Cu(L1) and Ni(L1) and emission behavior of ligand H2L1 and complexes Cu(L1) and Ni(L1) were examined. The complex Cu(L1) shows excellent catalytic activity towards oxidation of benzyl alcohol to benzyldehyde (under solvent-free condition) using H2O2 as the oxidant. Complex Pd(L1) acts as highly efficient catalyst in the Suzuki–Miyaura cross-coupling reaction of various aryl halides with phenyl boronic acid to produce the corresponding biaryls with high yields under mild reaction conditions. Both the catalysts Cu(L1) and Pd(L1) were easily recovered by simple chromatographic separation and reused for next catalytic cycle.

Porphyrins as Photoredox Catalysts in Csp2-H Arylations: Batch and Continuous Flow Approaches

We have investigated both batch and continuous flow photoarylations of enol-acetates to yield different α-arylated aldehyde and ketone building blocks by using diazonium salts as the aryl-radical source. Different porphyrins were used as SET photocatalysts, and photophysical as well as electrochemical studies were performed to rationalize the photoredox properties and suggest mechanistic insights. Notably, the most electron-deficient porphyrin (meso-tetra(pentafluorophenyl)porphyrin) shows the best photoactivity as an electron donor in the triplet excited state, which was rationalized by the redox potentials of excited states and the turnover of the porphyrins in the photocatalytic cycle. A two-step continuous protocol and multigram-scale reactions are also presented revealing a robust, cost-competitive, and easy methodology, highlighting the significant potential of porphyrins as SET photocatalysts.

Synthesis of Substrates for Aldolase-Catalysed Reactions: A Comparison of Methods for the Synthesis of Substituted Phenylacetaldehydes

Methods for the synthesis of phenylacetaldehydes (oxidation, one-carbon chain extension) were compared by using the synthesis of 4-methoxyphenylacetaldehyde as a model example. Oxidations of 4-methoxyphenylethanol with activated DMSO (Swern oxidation) or manganese dioxide gave unsatisfactory results; whereas oxidation with 2-iodoxybenzoic acid (IBX) produced 4-methoxyphenylacetaldehyde in reasonable (75%) yield. However, Wittig-type one-carbon chain extension with methoxymethylene-triphenylphosphine followed by hydrolysis gave an excellent (81% overall) yield of 4-methoxyphenylacetaldehyde from 4-methoxybenzaldehyde (a cheap starting material). This approach was subsequently used to synthesise a set of 10 substituted phenylacetaldehydes in good to excellent yields.

Berberine derivative and use thereof

The invention discloses a berberine derivative for treating bacterium infection, and a use for thereof. The berberine derivative has a structure shown in the description. Experiments prove that the berberine derivative has positive ion charges under physiological conditions, and has the characteristics of broad antibacterial spectrum, good biocompatibility, good water solubility, strong targetingand low toxicity, a preparation method has the advantages of simplicity, easiness in implementing, high yield, and significant curative effect in the antibacterial field.

HETEROCYCLIC COMPOUND

The present invention provides a heterocyclic compound having a CDK8 and/or CDK19 inhibitory effect. The present invention provides a compound represented by formula (I) (in the formula, the symbols are as defined in the description) or a salt thereof.