116530-60-0

Usage

Uses

Used in Organic Chemistry Research:
5-Nitro-2-indanone is used as a synthetic intermediate for the preparation of various complex organic compounds. Its unique structure allows for further functionalization and modification, making it a valuable component in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
5-Nitro-2-indanone is used as a key building block in the development of new drug molecules. Its reactivity and structural properties enable the creation of novel compounds with potential therapeutic applications, contributing to the advancement of medicine and healthcare.
Used in Agrochemical Industry:
5-Nitro-2-indanone is used as a precursor in the synthesis of agrochemicals, such as pesticides and herbicides. Its versatility in chemical reactions allows for the development of new and improved products that can enhance crop protection and agricultural productivity.
Used in Specialty Chemicals Production:
5-Nitro-2-indanone is used as a raw material in the production of specialty chemicals, which are often required for specific applications in various industries. Its role in the synthesis of these chemicals highlights its importance in the broader chemical manufacturing sector.

InChI:InChI=1/C9H7NO3/c11-9-4-6-1-2-8(10(12)13)3-7(6)5-9/h1-3H,4-5H2

Upstream product

• 615-13-4 2-indanone 
• 7697-37-2 nitric acid 
• 16513-67-0 5-nitro-2,3-dihydro-1H-inden-2-ol 
• 4254-29-9 indan-2-ol 
• 16513-70-5 2-acetoxy-5-nitroindane 
• 4254-31-3 2-acetoxyindane 
• 95-13-6 1-indene 
• 90649-71-1 1-chloro-2-hydroxyindane 
• 71720-52-0 1-methoxy-2,3-dihydro-1H-inden-2-ol 

Downstream Products

• 610-27-5 4-nitrophthalic acid 
• 885270-67-7 7-amino-1,4-dihydroisoquinolin-3(2H)-one 
• 959838-21-2 C₂₀H₂₃N₃O₄S 

Relevant academic research and scientific papers

Transition state imbalance in the deprotonation of substituted 2- tetralones by hydroxide ion

Rate and equilibrium constants for the deprotonation of a series of phenyl-substituted 2-tetralones in aqueous sodium hydroxide have been determined. A Bronsted plot of log k for deprotonation vs pK(a) of the appropriate 2-tetralone is linear with a slope (-α) of -0.60 ± 0.01, except for the point corresponding to 6-nitro-2-tetralone (1b). The negative deviation of 1b from the correlation indicates that the transition state for deprotonation of 2-tetralone is imbalanced, with delocalization of charge into the phenyl ring lagging behind proton transfer. A semiquantitative assessment of the charge distribution in both the fully formed anion and the transition state for deprotonation was calculated from these results and 13C NMR spectra of the 2-tetralone anion in methanol/water mixtures. Although approximately twice as much negative charge is localized on the oxygen than on the enolate carbon in the anion, slightly more charge is on the enolate carbon in the transition state.

Multipotent AChE and BACE-1 inhibitors for the treatment of Alzheimer's disease: Design, synthesis and bio-analysis of 7-amino-1,4-dihydro-2H-isoquilin-3-one derivates

In this paper, the preparation of a new class of multi-target-directed ligands (MTDLs) based on a 7-amino-1,4-dihydro-2H-isoquilin-3-one, whose lead (compound I) showed promising properties in acetylcholinesterase (AChE) inhibitory activity [1], is described. The results of in vitro activities and molecular docking demonstrated that the target molecule (compounds 10a-n) with three parts of aromatic moieties and appropriate structural length can interact with aromatic residues in catalytic active site (CAS), peripheral anionic site (PAS) and the channel of AChE. And the introduce of connecting amide bonds, enables the target molecules provide sufficient hydrogen bond donors and acceptors to interact with the catalytic site of BACE-1. Notably, compound 10d exerted excellent AChE inhibition (IC50 = 18.93 ± 1.02 pM, 181-fold more inhibitory effect compared with donepezil), BACE-1 inhibition (97.68 ± 8.01% at 20 μM), and good metal chelating property, which can be chosen as lead compound for further optimization of novel small ligand for the treatment of Alzheimer's disease.

A kind of indan -5 - carboxamide ROR γ regulator and its use

The invention relates to a structure of formula (I) compound of formula or a stereoisomer thereof, tautomers or its pharmaceutically acceptable salt or solvate or prodrug, its preparation method, a pharmaceutical composition containing these modulators and their use in the treatment ROR γ-mediated inflammatory, metabolic and autoimmune disorders.

7-amino-1,4-dihydroisoquinoline-3(2H)-one derivative, synthetic method and application thereof

A 7-amino-1,4-dihydroisoquinoline-3(2H)-one derivative, a synthetic method and an application thereof. The invention belongs to the technical field of medicines and relates to the 7-amino-1,4-dihydroisoquinoline-3(2H)-one compound, the synthetic method, and the application thereof in medicine The compound is represented as the general formula (I), wherein X is (CH2)CO, n = 1-10; or is NH(CH2)CO, n = 2-10; or is NHCO(CH2)CO, n = 3-10; Y is CO(CH2), n = 1-10; or is CO(CH2)NH, n = 2-10; or is CO(CH2)CONH, n = 3-10, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9 and R10 refers to different substituent groups. The invention also discloses the structures and synthetic methods of these compounds and in-vitro acetylcholin esterase inhibition activity of the compounds. The compounds can be further developed into a novel drug for treating Alzheimer's disease.