76629-45-3

Basic information

• Product Name: 3-[4-(3-METHYL)OXADIZOLYL]-NITRO BENZENE
• Synonyms: 3-[4-(3-METHYL)OXADIZOLYL]-NITRO BENZENE
• CAS NO: 76629-45-3
• Molecular Formula: C₉H₇N₃O₃
• Molecular Weight: 265.21884
• Mol File: 76629-45-3.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 367.896°C at 760 mmHg
• Flash Point: 176.298°C
• Appearance: /
• Density: 1.349g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.581
• CAS DataBase Reference: 3-[4-(3-METHYL)OXADIZOLYL]-NITRO BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[4-(3-METHYL)OXADIZOLYL]-NITRO BENZENE(76629-45-3)
• EPA Substance Registry System: 3-[4-(3-METHYL)OXADIZOLYL]-NITRO BENZENE(76629-45-3)

Safety Data

• Hazardous Substances Data: 76629-45-3(Hazardous Substances Data)

Usage

General Description

3-[4-(3-Methyl)oxadizolyl]-nitro benzene is a chemical compound with the molecular formula C9H7N3O3. It is a nitrobenzene derivative containing a 3-methyl-oxadiazole substituent. 3-[4-(3-METHYL)OXADIZOLYL]-NITRO BENZENE is used in the pharmaceutical industry as a building block for the synthesis of various drugs and pharmaceuticals. It is also used in the production of agrochemicals and as a reagent in organic chemical reactions. 3-[4-(3-Methyl)oxadizolyl]-nitro benzene has potential applications in medicinal chemistry and drug discovery due to its unique structure and chemical properties.

InChI:InChI=1/C9H7N3O3/c1-6-10-9(15-11-6)7-3-2-4-8(5-7)12(13)14/h2-5H,1H3

Upstream product

• 118493-85-9 acetamide oxime 
• 121-90-4 m-nitrobenzoic acid chloride 
• 336608-23-2 C₉H₉N₃O₄ 
• 22059-22-9 1-(hydroxyimino)ethylamine 
• 121-92-6 3-nitrobenzoic acid 

Downstream Products

• 76629-38-4 m-amino-N-(1-aminoethylidene)benzamide 
• 76629-35-1 3-methyl-5-(3-aminophenyl)-1,2,4-oxadiazole 
• 400748-70-1 3‘-methoxy-[1,1‘-biphenyl]-3-amine 

Relevant articles and documents

SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS

Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein Q is C2-6 alkenyl or C2-6 alkynyl, each substituted with zero to 2 R1; and the other variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

Construction of 3,5-substituted 1,2,4-oxadiazole rings triggered by tetrabutylammonium hydroxide: A highly efficient and fluoride-free ring closure reaction of O-acylamidoximes

Tetrabutylammonium hydroxide (TBAH) is an efficient and mild alternative to tetrabutylammonium fluoride (TBAF) for base catalyzed cyclizations of 1,2,4-oxadiazoles from O-acylamidoximes. For most 3,5-substituted 1,2,4-oxadiazoles the reactions were dramatically accelerated by addition of 0.1 equiv of TBAH at room temperature. This method was also more generally applicable allowing for a wider range of substrates. Additionally, due to the absence of fluoride, TBAH will not result in corrosion of reactor vessels and therefore is better suited for large-scale synthesis.

Discovery of piperidine-aryl urea-based stearoyl-CoA desaturase 1 inhibitors

A series of structurally novel stearoyl-CoA desaturase1 (SCD1) inhibitors has been identified via molecular scaffold manipulation. Preliminary structure-activity relationship (SAR) studies led to the discovery of potent, and orally bioavailable piperidine-aryl urea-based SCD1 inhibitors. 4-(2-Chlorophenoxy)-N-[3-(methyl carbamoyl)phenyl]piperidine-1-carboxamide 4c exhibited robust in vivo activity with dose-dependent desaturation index lowering effects.