29026-74-2

Basic information

• Product Name: 2-isopropoxyaniline
• Synonyms: 2-(1-Methylethoxy)benzenamine;(2-isopropoxyphenyl)amine(SALTDATA: HCl);2-(propan-2-yloxy)aniline;2-(1-Methylethoxy)aniline;o-Isopropoxyaniline;(2-isopropoxyphenyl)amine sulfate;ANILINE, o-ISOPROPOXY-;Benzenamine, 2-(1-methylethoxy)-
• CAS NO: 29026-74-2
• Molecular Formula: C₉H₁₃NO
• Molecular Weight: 151.21
• EINECS: 249-377-5
• Mol File: 29026-74-2.mol
• Article Data: 19

Chemical Properties

• Melting Point: 139-141℃
• Boiling Point: 273.23°C (rough estimate)
• Flash Point: 100.6°C
• Appearance: /
• Density: 1.0406 (rough estimate)
• Vapor Pressure: 0.0349mmHg at 25°C
• Refractive Index: 1.5380 (estimate)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 5.17±0.10(Predicted)
• CAS DataBase Reference: 2-isopropoxyaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 2-isopropoxyaniline(29026-74-2)
• EPA Substance Registry System: 2-isopropoxyaniline(29026-74-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 29026-74-2(Hazardous Substances Data)

Usage

General Description

2-Isopropoxyaniline, also known as N-isopropoxyaniline, is an organic chemical compound with the molecular formula C9H13NO. It is classified as an aniline derivative, containing a benzene ring with an amino group and an isopropoxy group attached. This chemical is commonly used in the synthesis of pharmaceuticals, dyes, and other organic compounds. Its primary use is as an intermediate in the production of various chemicals and products. 2-Isopropoxyaniline is a colorless to yellow liquid with a boiling point of 245-247°C and a melting point of -11-12°C. It is considered to have low acute toxicity and is not known to cause significant health hazards if handled and used properly.

InChI:InChI=1/C9H13NO/c1-7(2)11-9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3

Upstream product

• 75-30-9 2-iodo-propane 
• 824-39-5 sodium o-nitrophenate 
• 95-55-6 2-amino-phenol 
• 75-26-3 isopropyl bromide 
• 1624-53-9 2-(benzylideneamino)phenol 
• 88-75-5 2-hydroxynitrobenzene 
• 38753-50-3 1-isopropoxy-2-nitrobenzene 

Downstream Products

• 53965-13-2 2-isopropoxy-5-nitro-aniline 
• 98771-57-4 ethyl 1,6-dihydro-2-[2-(1-methylethoxy)anilino]-6-oxo-5-pyrimidinecarboxylate 
• 748772-86-3 3-{[2-(2-isopropoxy-phenylamino)-ethylamino]-methyl}-benzoic acid methyl ester 
• 748772-50-1 [3-({2-[(2-isopropoxy-phenyl)-methyl-amino]-ethylamino}-methyl)-phenyl]-piperidin-1-yl-methanone 
• 748771-93-9 (3-{[2-(2-isopropoxy-phenylamino)-ethylamino]-methyl}-phenyl)-piperidin-1-yl-methanone 
• 748772-46-5 [2-(2-isopropoxy-phenylamino)-ethyl]-[3-(piperidine-1-carbonyl)-benzyl]-carbamic acid tert-butyl ester 
• 748772-48-7 {2-[(2-isopropoxy-phenyl)-methyl-amino]-ethyl}-[3-(piperidine-1-carbonyl)-benzyl]-carbamic acid tert-butyl ester 
• 870249-29-9 2-[(2-hydroxy-ethyl)-(2-isopropoxy-phenyl)-amino]-ethanol 
• 908554-54-1 N-(2-isopropoxyphenyl)benzamide 

Relevant articles and documents

Discovery of new ATP-competitive inhibitors of human DNA topoisomerase IIα through screening of bacterial topoisomerase inhibitors

Human DNA topoisomerase II is one of the major targets in anticancer therapy, however ATP-competitive inhibitors of this target have not yet reached their full potential. ATPase domain of human DNA topoisomerase II belongs to the GHKL ATPase superfamily and shares a very high 3D structural similarity with other superfamily members, including bacterial topoisomerases. In this work we report the discovery of a new chemotype of ATP-competitive inhibitors of human DNA topoisomerase IIα that were discovered through screening of in-house library of ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV. Systematic screening of this library provided us with 20 hit compounds. 1,2,4-Substituted N-phenylpyrrolamides were selected for a further exploration which resulted in 13 new analogues, including 52 with potent activity in relaxation assay (IC50 = 3.2 μM) and ATPase assay (IC50 = 0.43 μM). Cytotoxic activity of all hits was determined in MCF-7 cancer cell line and the most potent compounds, 16 and 20, showed an IC50 value of 8.7 and 8.2 μM, respectively.

Modulators of the nuclear hormone receptor ROR

The invention provides small molecule modulators of retinoic acid receptor-related orphan receptors such as RORα, RORβ, or RORγ, of formula with the variable atoms as defined herein and R1 comprising a hydroxyl- or alkoxyl-substituted fluoroalkyl group. Compounds of the invention can be effective modulators at concentrations ineffective to act on LXR receptors, or on other nuclear receptors, or other biological targets. Methods of modulation the RORs and methods of treating metabolic disorders, immune disorders, cancer, and CNS disorders wherein modulation of an ROR is medically indicated are also provided.

QUINAZOLINONE-BASED ONCOGENIC-RAS-SELECTIVE LETHAL COMPOUNDS AND THEIR USE

The present invention provides, inter alia, compounds having the structure (1) compositions containing such compounds are also provided. Methods for using such compounds or compositions for treating or ameliorating the effects of a cancer having a cell that harbors an oncogenic RAS mutation, for modulating a lipoxygenase in a ferroptosis cell death pathway, and for depleting reduced glutathione (GSH) in a cell harboring an oncogenic RAS mutation are further provided.