3889-13-2

Basic information

• Product Name: 5-NITRO-1,3-BENZOXAZOL-2(3H)-ONE
• Synonyms: 5-NITRO-1,3-BENZOXAZOL-2(3H)-ONE;2(3H)-BENZOXAZOLONE, 5-NITRO-;5-Nitrobenzo[d]oxazol-2(3H)-one;5-Nitro-3H-benzooxazol-2-one;5-nitro-3H-1,3-benzoxazol-2-one
• CAS NO: 3889-13-2
• Molecular Formula: C₇H₄N₂O₄
• Molecular Weight: 180.12
• Mol File: 3889-13-2.mol
• Article Data: 27

Chemical Properties

• Melting Point: 242 °C
• Appearance: /
• Density: 1.58g/cm³
• Refractive Index: 1.635
• Storage Temp.: 2-8°C
• PKA: 8.05±0.70(Predicted)
• CAS DataBase Reference: 5-NITRO-1,3-BENZOXAZOL-2(3H)-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-NITRO-1,3-BENZOXAZOL-2(3H)-ONE(3889-13-2)
• EPA Substance Registry System: 5-NITRO-1,3-BENZOXAZOL-2(3H)-ONE(3889-13-2)

Safety Data

• Hazardous Substances Data: 3889-13-2(Hazardous Substances Data)

Usage

General Description

5-NITRO-1,3-BENZOXAZOL-2(3H)-ONE is a chemical compound with the molecular formula C7H4N2O4. It is a derivative of benzoxazole and is characterized by a nitro group at the 5-position of the benzene ring. 5-NITRO-1,3-BENZOXAZOL-2(3H)-ONE is known for its yellow crystalline appearance and its use in various chemical reactions and organic synthesis. It is also used as a pharmaceutical intermediate and in the production of certain dyes and pigments. Additionally, it has been studied for its potential biological and pharmacological activities, including antifungal and antibacterial properties. However, it is important to handle 5-NITRO-1,3-BENZOXAZOL-2(3H)-ONE with caution due to its potential hazardous and toxic nature.

InChI:InChI=1/C7H4N2O4/c10-7-8-5-3-4(9(11)12)1-2-6(5)13-7/h1-3H,(H,8,10)

Upstream product

• 75-44-5 phosgene 
• 99-57-0 2-hydroxy-5-nitroaniline 
• 1659-31-0 2,2'-dipyridyl carbonate 
• 2851-07-2 2-methylsulfanyl-5-nitro-benzooxazole 
• 103029-82-9 5-nitro-3-acetylbenz[d]oxazol-2(3H)-one 
• 1245209-77-1 2-hydroxy-5-nitrobenzoyl azide 
• 541-41-3 chloroformic acid ethyl ester 
• 503-38-8 trichloromethyl chloroformate 
• 530-62-1 1,1'-carbonyldiimidazole 
• 43112-62-5 (2-Hydroxy-5-nitro-phenyl)-carbamic acid phenyl ester 
• 3582-05-6 trifluoromethyl trifluoromethanesulfonate 
• 1202680-24-7 phenyl 4,5-dichloro-6-oxopyridazine-1(6H)-carboxylate 
• 19213-72-0 ethyl 1-imidazolecarboxylate 

Downstream Products

• 33703-89-8 3-(3-chloropropyl)-5-nitro-3H-benzoxazol-2-one 
• 14703-72-1 2-(methylamino)-4-nitrophenol 
• 99584-09-5 5-amino-3-methyl-1,3-benzoxazol-2(3H)-one 

Relevant articles and documents

Synthesis and evaluation of technetium-99m labelled 1-(2-methoxyphenyl)piperazine derivative for single photon emission computed tomography imaging for targeting 5-HT1A

Quantitative changes in expression level of 5HT1A are somewhere related to common neurological disorders such as anxiety, major depression and schizophrenia. We have designed EDTA conjugated SPECT imaging probe for localization of 5HT1A/s

Concise and Additive-Free Click Reactions between Amines and CF3SO3CF3

Trifluoromethyl trifluoromethanesulfonate has proved to be an excellent reservoir of difluorophosgene and a promising click ligation for amines in the preparation of urea derivatives, heterocycles, and carbamoyl fluorides under metal- and additive-free conditions. The reactions are rapid, efficient, selective, and versatile, and can be performed in benign solvents, giving products in excellent yields with minimal efforts for purification. The characteristics of the reactions meet the requirements of a click reaction. The use of trifluoromethyl trifluoromethanesulfonate as a click reagent is advantageous over other “CO” sources (e.g., TsOCF3, PhCO2CF3, CsOCF3, AgOCF3, and triphosgene) because this reagent is readily accessible; easy to scale up; and highly reactive, even under metal- and additive-free conditions. It is anticipated that CF3SO3CF3 will be increasingly as important as SO2F2 as a click agent in future drug design and development.

SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS

Disclosed are compounds of Formula (I) or a salt thereof, wherein R1 is (II) or (III); each W is independently NR1b or O; Z is a bond or CHR1d; and R1, R2, Rd, R3, L1, L2, R1a, R1b, R1c, and n are define herein. Also disclosed are methods of using such compounds as inhibitors of ROMK, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating cardiovascular diseases.