36238-80-9

Basic information

• Product Name: 1,2-BENZISOXAZOL-3(2H)-ONE, 5-NITRO-
• Synonyms: 1,2-BENZISOXAZOL-3(2H)-ONE, 5-NITRO-
• CAS NO: 36238-80-9
• Molecular Formula: C7H4N2O4
• Molecular Weight: 180.12
• Mol File: 36238-80-9.mol
• Article Data: 10

Chemical Properties

• Melting Point: 178 °C
• Appearance: /
• Density: 1.580±0.06 g/cm3(Predicted)
• PKA: 12.43±0.20(Predicted)
• CAS DataBase Reference: 1,2-BENZISOXAZOL-3(2H)-ONE, 5-NITRO-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-BENZISOXAZOL-3(2H)-ONE, 5-NITRO-(36238-80-9)
• EPA Substance Registry System: 1,2-BENZISOXAZOL-3(2H)-ONE, 5-NITRO-(36238-80-9)

Safety Data

• Hazardous Substances Data: 36238-80-9(Hazardous Substances Data)

Usage

General Description

1,2-Benzisoxazol-3(2H)-one, 5-nitro- is a chemical compound with the molecular formula C8H5N3O4. It is a nitro derivative of benzisoxazolone and is commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals. 1,2-Benzisoxazol-3(2H)-one, 5-nitro- has been found to possess antimicrobial, antifungal, and anti-inflammatory properties, making it of interest for potential therapeutic applications. Additionally, 1,2-Benzisoxazol-3(2H)-one, 5-nitro- has been investigated for its potential as a fluorescent probe for detecting toxic heavy metal ions in environmental samples. Overall, this chemical compound has a diverse range of potential uses in various industries and research fields.

Upstream product

• 61494-42-6 2-hydroxy-5-nitro-benzenecarbohydroxamic acid 
• 96-97-9 5-nitrosalicylic acid 
• 1245209-77-1 2-hydroxy-5-nitrobenzoyl azide 
• 17302-46-4 methyl 2-hydroxy-5-nitrobenzoate 
• 21725-69-9 3-hydroxybenzisoxazole 

Downstream Products

• 73498-28-9 3-Hydroxy-5-amino-1,2-benzisoxazol 
• 16302-63-9 3-Chlor-5-nitro-1,2-benzisoxazol 
• 73498-30-3 3-Hydroxy-5-(4'-dimethylamino-phenylazo)-1,2-benzisoxazol 

Relevant articles and documents

TETRAHYDROISOQUINOLINE DERIVATIVES

The present invention relates to tetrahydroisoquinoline derivatives according to formula (I), wherein G represents a fused heterocyclic system selected from the groups represented by formula (G1), (G2), (G3), (G4/sup

Synthesis of benz[d]oxazolones involving concomitant acetyl migration from oxygen to nitrogen

Heating of o-acetoxybenzoyl azides 6-10 in toluene leads to the Curtius reaction, which, when followed by closure of oxazolone ring with concomitant migration of acetyl group from oxygen to nitrogen, produces 3-acetoxybenz[d] oxazol-2(3H)-ones 11-15, which undergo hydrolysis with hot dilute hydrochloric acid to furnish benz[d]oxazol-2(3H)-ones 17-21. Thermal reaction of 2-hydroxy-5-nitrobenzoyl azide (22) in toluene finally yields a mixture of 5-nitrobenz[d]oxazol-2(3H)-one (20) and 5-nitrobenz[d]isoxazol-3(2H)-one (23). Copyright Taylor & Francis Group, LLC.

BENZISOXAZOLES

The present invention concerns the compounds of formula (I), the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein m represents an integer from 1 to 3; X represents amino, hydroxy, -oxo or -Z-R1; Y is absent when X represents -Z-R1 and -(C=O)-R66 when X represents oxo; Z represents carbonyl, -oxy-carbonyl- or -NR 55-carbonyl-; R1 represents C1-4alkyl, Ar1, Ar1-C1-4a1ky1-, -NR3R4 or -Het1; R2 represents hydrogen, halo, nitro, hydroxycarbonyl-, C1-4alkyloxy or C1-4alkyl; R33 and R4 are each independently selected from hydrogen, Ar33 or C1-4alkyl; R5 represents hydrogen, C1-4alkylcarbonyl- or Ar4-carbonyl-; R6 represents a substituent selected from the group consisting of C1.4alkyl, Ar55, Ar6-C1-4alkyl- or NR7R8; R7 and R8 are each independently selected from hydrogen, Het4 or C1-4alkyl; Het1 represents a heterocycle selected from oxazolyl, isoxazolyl, imidazolyl or pyrazolyl wherein said heterocycle is optionally substituted with one, two or three substituents selected from the group consisting of amino, C1-4alkyl, hydroxy-C1-4alkyl, phenyl, phenyl-C1-4alkyl- and phenyl substituted with one or more halo substituents; Het4 represents a heterocycle selected from oxazolyl or isoxazolyl, wherein said heterocycle is optionally substituted with one or more substituents selected from the group consisting of amino, C1-4alkyl, hydroxy-C1-4alkyl-, phenyl, phenyl-Cl-4alkyl and phenyl substituted with one or more halo substituents; and Ar1, Ar2, Ar3, Ar4, Ar5 or Ar6 each independently represents phenyl optionally substituted one or where possible two or more substituents selected from halo, nitro, C1-4alkyl, hydroxy or C1-4alkyloxy-.