939-05-9 Usage
Description
3(2H)-Isoxazolone,5-phenyl-(9CI) is a chemical compound with the molecular formula C9H7NO2, belonging to the isoxazolone class of organic compounds. It features a five-membered ring containing an oxygen and nitrogen atom, with a phenyl group attached to the ring structure. This unique structure and reactivity endow it with diverse biological activities, such as anti-inflammatory and analgesic properties, making it a promising candidate for pharmaceutical and agrochemical applications.
Uses
Used in Pharmaceutical Industry:
3(2H)-Isoxazolone,5-phenyl-(9CI) is used as a pharmaceutical agent for its anti-inflammatory and analgesic properties. It can potentially be developed into drugs for treating various inflammatory and pain-related conditions, offering an alternative to existing medications.
Used in Agrochemical Industry:
3(2H)-Isoxazolone,5-phenyl-(9CI) is used as an agrochemical agent, leveraging its biological activities to control or manage pests and diseases in agriculture. Its potential applications may include the development of novel pesticides or herbicides that can effectively protect crops and enhance agricultural productivity.
Used in Organic Synthesis:
3(2H)-Isoxazolone,5-phenyl-(9CI) is used as a synthetic intermediate in the preparation of various organic compounds and materials. Its unique structure and reactivity make it a valuable building block for the synthesis of complex molecules, which can find applications in different industries, such as pharmaceuticals, materials science, and specialty chemicals.
Check Digit Verification of cas no
The CAS Registry Mumber 939-05-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,3 and 9 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 939-05:
(5*9)+(4*3)+(3*9)+(2*0)+(1*5)=89
89 % 10 = 9
So 939-05-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H7NO2/c11-9-6-8(12-10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
939-05-9Relevant articles and documents
A novel route to 5-substituted 3-isoxazolols. Cyclization of N,O-diBoc β-keto hydroxamic acids synthesized via acyl Meldrum's acids
Sorensen, Ulrik S.,Falch, Erik,Krogsgaard-Larsen, Povl
, p. 1003 - 1007 (2007/10/03)
3-Isoxazolols are most often synthesized from a β-keto ester and hydroxylamine. This cyclization typically gives rise to a major byproduct, the corresponding 5-isoxazolone. We have found that N,O-diBoc-protected β- keto hydroxamic acids can be synthesized and cyclized to 5-substituted 3- isoxazolols without formation of any byproduct. We present a novel and versatile three-step procedure in which carboxylic acid derivatives are converted into acyl Meldrum's acids which, upon aminolysis with N,O-bis(tert- butoxycarbonyl)hydroxylamine, lead to the N,O-diBoc-protected β-keto hydroxamic acids. These hydroxamic acid analogues were then, upon treatment with hydrochloric acid, cyclized to the corresponding 5-substituted 3- isoxazolols.
Synthesis of 3-Hydroxyisoxazoles from β-Ketoesters and Hydroxylamine
Sato, Kazuo,Sugai, Soji,Tomita, Kazuo
, p. 1831 - 1838 (2007/10/02)
An efficient synthesis of 3-hydroxyisoxazoles from β-ketoesters and hydroxylamine was investigated.The reaction of the sodium salts of β-ketoesters and hydroxylamine at a low temperature, followed by quenching with an excess of conc.HCl under heating gave predominantly 3-hydroxyisoxazoles involving 4-sulfenylated 3-hydroxyisoxazoles.Starting from the prepared 4-(2,4-dichlorobenzyl)-3-hydroxy-5-methylisoxazole, a potential herbicidal compound, 4-(2,4-dichlorobenzoyl)-3-hydroxy-5-methylisoxazole, was also synthesized in five steps.
Regioselective synthesis of 3-hydroxyisoxazoles and 5-isoxazolones from β-amino α,β-unsaturated esters
Kashima,Konno,Yoshiwara,Tajima
, p. 1535 - 1536 (2007/10/02)
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