70886-33-8

Basic information

• Product Name: 5-NITRO-1,3-BENZOXAZOLE
• Synonyms: 5-NITRO-1,3-BENZOXAZOLE;5-Nitrobenzoxazole
• CAS NO: 70886-33-8
• Molecular Formula: C₇H₄N₂O₃
• Molecular Weight: 164.12
• Mol File: 70886-33-8.mol

Chemical Properties

• Melting Point: 127-129°
• Boiling Point: 294.2°C at 760 mmHg
• Flash Point: 131.7°C
• Appearance: /
• Density: 1.473g/cm³
• Vapor Pressure: 0.0029mmHg at 25°C
• Refractive Index: 1.658
• Storage Temp.: 2-8°C
• PKA: -5.69±0.10(Predicted)
• CAS DataBase Reference: 5-NITRO-1,3-BENZOXAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-NITRO-1,3-BENZOXAZOLE(70886-33-8)
• EPA Substance Registry System: 5-NITRO-1,3-BENZOXAZOLE(70886-33-8)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 70886-33-8(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
5-NITRO-1,3-BENZOXAZOLE is used as a reactant in the copper-catalyzed direct carboxylation of C-H bonds in benzoxazoles and related compounds with carbon dioxide. This reaction is significant in the field of organic chemistry, as it allows for the formation of new carbon-carbon bonds and the synthesis of a wide range of complex molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 5-NITRO-1,3-BENZOXAZOLE is used as a building block for the synthesis of various drug molecules. Its unique chemical properties make it a valuable component in the development of new drugs with potential therapeutic applications.
Used in Material Science:
5-NITRO-1,3-BENZOXAZOLE is also utilized in the field of material science, particularly in the development of novel materials with specific properties. Its incorporation into polymers and other materials can lead to enhanced performance characteristics, such as improved stability, reactivity, or conductivity.
Used in Dye and Pigment Industry:
5-NITRO-1,3-BENZOXAZOLE is employed in the dye and pigment industry as a colorant or intermediate in the synthesis of various dyes and pigments. Its unique chemical structure contributes to the development of new colors and shades, expanding the range of available options for various applications.
Used in Research and Development:
5-NITRO-1,3-BENZOXAZOLE is a valuable compound in research and development, particularly in the fields of organic chemistry, medicinal chemistry, and materials science. Its unique properties and reactivity make it an essential tool for exploring new chemical reactions, developing new materials, and designing novel drug molecules.

InChI:InChI=1/C7H4N2O3/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4H

Upstream product

• 122-51-0 orthoformic acid triethyl ester 
• 99-57-0 2-hydroxy-5-nitroaniline 
• 149-73-5 trimethyl orthoformate 
• 70886-35-0 N-(2-hydroxy-5-nitrophenyl)formamide 
• 273-53-0 benzoxazole 

Downstream Products

• 70886-35-0 N-(2-hydroxy-5-nitrophenyl)formamide 
• 63837-12-7 1,3-benzoxazole-5-amine 
• 39835-09-1 5-nitro-2-hydroxybenzonitrile 
• 7653-47-6 6-nitro-3-phenyl-2H-benzo-[b][1,4]oxazin-2-one 
• 891-43-0 5-nitro-2-phenylbenzo[d]oxazole 
• 1400811-41-7 C₁₅H₈N₂O₃ 
• 112606-69-6 3-(4'-Methyl)phenyl-5-nitro-benzisoxazole 
• 49559-67-3 5-nitro-benzooxazole-2-carboxylic acid 
• 49559-61-7 5-Nitrobenzoxazol-2-carbonsaeuremethylester 
• 1246472-00-3 C₇H₃BrN₂O₃ 
• 144037-41-2 5-nitro-2-phenethylbenzo[d]oxazole 
• 112606-72-1 2-(4-bromophenyl)-5-nitro-1,3-benzoxazole 

Relevant articles and documents

ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE "RIG-I' PATHWAY AND METHODS OF USE THEREOF

The present invention is directed to compounds of Formula (I), which are activators of the RIG-I pathway.

ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE "RIG-I" PATHWAY AND METHODS OF USE THEREOF

The present invention is directed to compounds of Formula (I), which are activators of the RIG-I pathway.

Cu-Catalyzed Direct C-P Bond Formation through Dehydrogenative Cross-Coupling Reactions between Azoles and Dialkyl Phosphites

A direct dehydrogenative cross-coupling of azoles [C(sp2)-H] with dialkyl phosphites [P(O)-H] to access 2-phosphonated azoles using Cu(I)/Cu(II) as catalyst and K2S2O8/di-tert-butylperoxide as oxidant has been achieved. A remarkable advantage over reported procedures includes that oxazoles, imidazoles, benz(ox/othi/imid)azoles, and indole are found to react under optimized reaction conditions to provide corresponding adducts in high yields. The mechanistic insight of cross-coupling was obtained by deuterium kinetic isotope effect studies.

Method for synthesizing benzoxazole through microwave radiation of benzamide compound in water phase

The invention discloses a method for synthesizing benzoxazole through microwave radiation of a benzamide compound in a water phase. The benzamide compound is added into the water phase under the microwave condition to be subjected to a cyclization reaction for generating the benzoxazole under the alkali condition, and the method for preparing the benzoxazole is environmentally friendly, easy and convenient to operate, safe, low in cost and efficient. Compared with the prior art, the method can be applied to a large number of functional groups, the yield is high, the number of by-products is small, and the method is easy to operate, safe, low in cost and environmentally friendly. (Please see the specifications for the formula).

A novel ionic liquid based on imidazolium cation as an efficient and reusable catalyst for the one-pot synthesis of benzoxazoles, benzthiazoles, benzimidazoles and 2-arylsubstituted benzimidazoles

A novel dicationic ionic liquid based on imidazolium cation is designed, synthesized and successfully used as catalyst for the one-pot synthesis of benzoxazoles, benzthiazoles, benzimidazoles and 2-arylsubstituted benzimidazoles. The remarkable feature of this new catalyst is its ethyleneoxy bridge which participates in dissolving organic compound in ionic liquid. The application of this ionic liquid is studied in a new one-pot method for synthesis of heterocyclic compounds under solvent-free conditions. Simple and convenient procedure, high conversion, reusability of catalyst, easy purification and shorter reaction time are the advantageous features of this method.

SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN

The present invention relates to compounds according to Formula 1 and pharmaceutically acceptable salts, synthesis, intermediates, formulations, and methods of disease treatment therewith, including cancer, lymphocyte homing, chronic inflammation, neuropathic pain, fibrotic diseases, thrombosis, and cholestatic pruritus, mediated at least in part by ATX.

Synthesis of 2-aminobenzoxazoles via copper-catalyzed electrophilic amination of benzoxazoles with O-benzoyl hydroxylamines

An efficient copper-catalyzed electrophilic amination of benzoxazoles with O-benzoyl hydroxylamines is described, employing CuCl catalyst, PPh3 ligand, and LiOtBu base. This simple air-stable copper catalysis enables the preparation of various 2-aminobenzoxazole derivatives at room temperature in good yields.

Tungstate sulfuric acid as an efficient catalyst for the synthesis of benzoxazoles and benzothiazoles under solvent-free conditions

Tungstate sulfuric acid (TSA) has been found to be an efficient and reusable catalyst for the synthesis of benzoxazole and benzothiazole derivatives via reactions of orthoesters with o-aminophenols or o-aminothiophenols in high yields.

Iodine-mediated arylation of benzoxazoles with aldehydes

A simple and efficient methodology for the arylation of benzoxazoles with aldehydes using iodine as the mediator has been developed. The reaction proceeded smoothly with a range of substrates to give the corresponding arylated products in moderate to good yields.