5311-58-0

Usage

Heterocyclic organic compound

It contains both nitrogen and oxygen atoms in its structure, making it a heterocyclic compound.

Derivative of imidazo[1,2-a]pyridine

2-(4-Nitro-phenyl)-imidazo[1,2-a]pyridine is derived from the base structure of imidazo[1,2-a]pyridine.

Nitro group attached to phenyl ring

The compound has a nitro group (-NO2) attached to a phenyl ring, which influences its chemical properties and reactivity.

Building block for synthesis

It is commonly used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and organic materials.

Valuable intermediate

Its chemical properties make it a valuable intermediate in the production of a wide range of organic compounds.

Nitro group reduction potential

The nitro group in the molecule can be reduced to an amino group (-NH2), which further expands the potential applications of 2-(4-Nitro-phenyl)-imidazo[1,2-a]pyridine in organic synthesis.

InChI:InChI=1/C13H9N3O2/c17-16(18)11-6-4-10(5-7-11)12-9-15-8-2-1-3-13(15)14-12/h1-9H

Upstream product

• 290-87-9 1,3,5-Triazine 
• 4426-72-6 hydrazine carboxamide 
• 1003-35-6 5-amino-2,4-dihydro-3H-1,2,4-triazol-3-one 
• 563-41-7 semicarbazide hydrochloride 
• 149-73-5 trimethyl orthoformate 
• 61-82-5 3⁽⁵⁾-amino-1,2,4-triazole 
• 4538-16-3 5-oxo-4,5-dihydro-1,2,4-triazole-3-carboxylic acid 
• 537698-45-6 2-β-cyanoethyl-1,2,4-triazol-3(2H)-one 
• 29983-26-4 2-ethyl-2,4-dihydro-[1,2,4]triazole-3-thione 
• 122-51-0 orthoformic acid triethyl ester 
• 64-18-6 formic acid 

Downstream Products

• 98292-37-6 4-Benzyl-1,2,4-triazol-3(2H)-one 
• 86548-94-9 1,4-diglycidyl-1,2,4-triazolone-5 
• 80049-42-9 2,4-bis(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-1,2,4-triazolin-3-one 
• 80049-44-1 4-(2,3,5-Tri-O-benzoyl-β-D-ribofuranosyl)-1,2,4-triazol-3(2H)-one 
• 4114-43-6 4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one 
• 4114-39-0 1,2-dimethyl-3-oxo-1,2,4-triazoline 
• 7411-17-8 3-methoxy-1:2:4-triazole 
• 67103-82-6 5-methoxy-1-methyl-1H-[1,2,4]triazole 
• 80049-46-3 2-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-1,2,4-triazolin-3-one 

Relevant academic research and scientific papers

Theoretical and experimental studies of the structure and vibrational spectra of NTO

The structure and vibrational spectra of the high explosive 5-nitro- 2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) have been determined by ab initio molecular orbital calculations at the Hartree-Fock and second-order Moller- Plesset levels and by density functional theory (B3LYP). Experimental frequencies for the molecule have been determined from infrared spectra of pure NTO films and NTO molecules isolated in an argon matrix at 21 K. A force field for gas phase NTO has been obtained based on calculated results at the MP2/6-311G** level. In addition, a force field for solid state NTO has been constructed using the experimental vibrational frequencies for NTO films and scaled ab initio vibrational frequencies. Differences between the solid state and gas phase results indicate that the environment and preparation procedure exert a marked influence on the spectral characteristics of the NTO molecule.

The crystal and computed structures of 1,2,4-triazol-5-one (TO)

1,2,4-Triazol-5-one (TO) was synthesized by reacting semicarbazide hydrochloride with formic acid and its single crystal was grown by the slow evaporation method. Its molecular structure and crystal structure were determined by X-ray single crystal diffraction technique. The obtained results show that the crystal belongs to Crystal system of Monoclinic, space group Pn. It was characterized by elemental microanalysis and FT-IR techniques. Based on the crystal data, we had also carried quantum chemistry calculations on the title compound using the B3LYP and MP2 method with cc-pVTZ basis set. The calculation results further demonstrate the crystal structure of title compound and its other related properties.

1,2,4-TRIAZOLINOE CB1 INHIBITORS

Disclosed are compounds according to Formula (I), and related pharmaceutical compositions. Also disclosed are therapeutic methods, e.g., of treating diseases such as diabetic kidney disease, diabetic nephropathy, obesity-related kidney disease, focal segmental glomerular sclerosis, IgA nephropathy, nephrotic syndrome, kidney fibrosis, Prader Willi syndrome, metabolic syndrome, gastrointestinal diseases, non-alcoholic liver disease, alcoholic liver disease, or non-alcoholic fatty liver disease, using the compounds of Formula (I).

PIPERAZINE CYCLIC UREAS

Provided are piperazine cyclic urea compounds that inhibit cellular necrosis and/or human receptor interacting protein 1 kinase (RIP1), pharmaceutically acceptable salts, hydrates and stereoisomers thereof. Provided are also pharmaceutical compositions, methods of making, and methods of use which include treating a person in need thereof with an effective amount of the compound or composition, and detecting a resultant improvement in the person's health or condition.

1-(N,N-DISUBSTITUTED CARBAMOYL) 4-(SUBSTITUTED SULFONYL)TRIAZOLIN-5-ONE DERIVATIVE, 4-(N,N-DISUBSTITUTED CARBAMOYL) 1-(SUBSTITUTED SULFONYL)TRIAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT

The present invention provides 1-(N,N-disubstituted carbamoyl) 4-(substituted sulfonyl)triazolin-5-one derivatives represented general formula 1, and 4-(N,N-disubstituted carbamoyl) 1-(substituted sulfonyl)triazolin-5-one derivatives represented by general formula (11), which show excellent herbicidal activity, and herbicides characterized by containing the derivatives as an active ingredient. In general formula (1), R1-R4 represent predetermined substituents. In general formula (11), R11-R14 represent predetermined substituents.

Structure-activity relationships of triazole-benzodioxine inhibitors of cathepsin X

Cathepsin X is a cysteine carboxypeptidase that is involved in various physiological and pathological processes. In particular, highly elevated expression and activity of cathepsin X has been observed in cancers and neurodegenerative diseases. Previously, we identified compound Z9 (1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-isopropyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one) as a potent and specific reversible cathepsin X inhibitor. Here, we have explored the effects of chemical variations to Z9 of either benzodioxine or triazol moieties, and the importance of the central ketomethylenethio linker. The ketomethylenethio linker was crucial for cathepsin X inhibition, whereas changes of the triazole heterocycle did not alter the inhibitory potencies to a greater extent. Replacement of benzodioxine moiety with substituted benzenes reduced cathepsin X inhibition. Overall, several synthesized compounds showed similar or improved inhibitory potencies against cathepsin X compared to Z9, with IC50 values of 7.1 μM–13.6 μM. Additionally, 25 inhibited prostate cancer cell migration by 21%, which is under the control of cathepsin X.

METHOD FOR OBTAINING SOLUTIONS OF OTA IN A CONCENTRATED SULFURIC ACID MEDIUM; SAID SOLUTIONS; AND METHOD FOR PREPARING ONTA

A method for obtaining solutions that contain 1,2,4-triazole-5-one (OTA) in concentrated sulphuric acid, includes using 3-amino-1,2,4-triazole (ATA) as a precursor of OTA. There is also provided a method for preparing 3-nitro-1,2,4-triazole-5-one (4) (ONTA) from the solutions.

METHOD FOR OBTAINING SOLUTIONS OF OTA IN A CONCENTRATED SULFURIC ACID MEDIUM； SAID SOLUTIONS； AND METHOD FOR PREPARING ONTA

A method for obtaining solutions that contain 1,2,4-triazole-5-one (OTA) in concentrated sulphuric acid, includes using 3-amino-1,2,4-triazole (ATA) as a precursor of OTA. There is also provided a method for preparing 3-nitro-1,2,4-triazole-5-one (4) (ONTA) from the solutions.

Process for the preparation of 1,2,4- triazolin-5-one derivatives

The present invention relates to a process for the preparation of a compound of formula (I) wherein R represents hydrogen, C1-10alkyl, haloC1-10alkyl or aryl; which are useful intermediates in the preparation of morpholine derivatives of formula (A). Compounds of formula (A) are useful as therapeutic agents.

Regioselective synthesis of 1,2,4-triazol-3(2H)-ones and their 3(2H)-thiones: Kinetic studies and selective pyrolytic deprotection

Selective pyrolytic deprotection of 2-ethyl and 2-cyanoethyl-4-arylidenimino-1,2,4-triazol-3(2H)-ones and their 3(2H)-thiones was studied by flash vacuum pyrolysis. This study is useful in regioselective synthesis of 2-and 4-substituted 1,2,4-triazoles of potential biological applications. The kinetic results and product analysis lend support to a reaction pathway involving a six-membered transition state.