1828-58-6

Basic information

• Product Name: 3-bromo-4-hydroxy-5-nitrobenzonitrile
• Synonyms: 3-bromo-4-hydroxy-5-nitrobenzonitrile;onitrile, 3-broMo-4-hydroxy-5-nitro-;Benzonitrile, 3-broMo-4-hydroxy-5-nitro-
• CAS NO: 1828-58-6
• Molecular Formula: C₇H₃BrN₂O₃
• Molecular Weight: 243.01432
• EINECS: -0
• Mol File: 1828-58-6.mol
• Article Data: 7

Chemical Properties

• Melting Point: 164-165 °C
• Boiling Point: 273.4°C at 760 mmHg
• Flash Point: 119.2°C
• Appearance: /
• Density: 1.98g/cm³
• Vapor Pressure: 0.00344mmHg at 25°C
• Refractive Index: 1.686
• Storage Temp.: 2-8°C
• PKA: 2.90±0.38(Predicted)
• CAS DataBase Reference: 3-bromo-4-hydroxy-5-nitrobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-bromo-4-hydroxy-5-nitrobenzonitrile(1828-58-6)
• EPA Substance Registry System: 3-bromo-4-hydroxy-5-nitrobenzonitrile(1828-58-6)

Safety Data

• Hazardous Substances Data: 1828-58-6(Hazardous Substances Data)

Usage

General Description

3-bromo-4-hydroxy-5-nitrobenzonitrile is a chemical compound with the molecular formula C7H4BrN2O3. It is a derivative of benzonitrile, with bromine, hydroxyl, and nitro functional groups attached to the benzene ring. 3-bromo-4-hydroxy-5-nitrobenzonitrile may be used in organic synthesis as a starting material for the preparation of various pharmaceuticals or agrochemicals. It is important to handle this compound with care, as it may be harmful if ingested, inhaled, or in contact with skin, and appropriate safety measures should be taken when working with this chemical.

InChI:InChI=1/C7H3BrN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H

Upstream product

• 2315-86-8 3-bromo-4-hydroxybenzonitrile 
• 3272-08-0 4-hydroxy-3-nitrobenzonitrile 
• 1689-84-5 Bromoxynil 
• 767-00-0 4-cyanophenol 

Downstream Products

• 841236-11-1 2-amino-4-(aminomethyl)-6-bromophenol 
• 862730-24-3 3-amino-5-bromo-4-hydroxybenzonitrile 
• 1093395-68-6 methyl 4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoate 
• 1093395-81-3 C₃₀H₂₈F₃N₅O₂ 
• 1093395-72-2 4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}methyl)benzamide 
• 1093395-96-0 C₂₉H₂₉N₅O₂ 
• 1292821-38-5 C₃₀H₂₈F₃N₅O₂ 
• 1093396-51-0 C₃₀H₃₁N₅O₃ 
• 1093395-89-1 4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)-N-({1-[4-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}methyl)benzamide 
• 1093395-88-0 methyl 6-[4-({[4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoyl]amino} methyl)piperidin-1-yl]nicotinate 
• 1093395-87-9 methyl 6-[4-({[4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzoyl]amino}methyl)piperidin-1-yl]pyridine-2-carboxylate 
• 1292821-39-6 C₃₀H₂₉N₅O₄ 
• 1292821-40-9 C₂₉H₂₈N₆O₄ 
• 1093395-94-8 N-{[1-(5-bromopyridin-2-yl)piperidin-4-yl]methyl}-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide 

Relevant articles and documents

PRODRUGS OF 2-(4-(3-((4-AMINO-7-CYANO-IMIDAZO[2,1-F][1,2,4]TRIAZIN-2-YL)AMINO)PHENYL)PIPERAZ IN-1-YL)PROPANAMIDE DERIVATIVES AS CK2 INHIBITORS FOR THE TREATMENT OF CANCER

PRODRUGS OF IMIDAZOTRIAZINE COMPOUNDS AS CK2 INHIBITORS The invention provides pharmaceutically active compounds of formula (I) and prodrugs thereof. The formula (I) 2-(aminophenylamino)-4- amino-7-cyano-imidazo[2,1-f][1,2,4]triazine derivatives inhibit CK2 protein kinase activity, thereby making them useful for treating cancer, psoriasis and rheumatoid arthritis.

2-(4-Carbonylphenyl)benzoxazole inhibitors of CETP: Scaffold design and advancement in HDLc-raising efficacy

The development of 2-phenylbenzoxazoles as inhibitors of cholesteryl ester transfer protein (CETP) is described. Initial efforts aimed at engineering replacements for the aniline substructures in the benchmark molecule. Reversing the connectivity of the central aniline lead to a new class of 2-(4-carbonylphenyl)benzoxazoles. Structure-activity studies at the C-7 and terminal pyridine ring allowed for the optimization of potency and HDLc-raising efficacy in this new class of inhibitors. These efforts lead to the discovery of benzoxazole 11v, which raised HDLc by 24 mg/dl in our transgenic mouse PD model.

CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES

Compounds having the structure of Formula I, including pharmaceutically acceptable salts of the compounds, are potent CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis. In formula I, A-B is an arylamide moiety.