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1-Phenyl-1H-pyrazol-3(2H)-one, also known as 2-Pyrazolin-5-one or 5-Hydroxy-1-phenyl-1H-pyrazole, is an organic compound that belongs to the class of pyrazolone derivatives. It is a white to light yellow crystalline powder with a melting point of around 166-169°C. This chemical is widely used as a building block in the synthesis of various pharmaceuticals and agrochemicals. It has also been investigated for its potential biological activities, including its antimicrobial, antioxidant, anti-inflammatory, and analgesic properties. Additionally, 1-Phenyl-1H-pyrazol-3(2H)-one has been studied as a potential fluorescent probe for detecting various metal ions due to its strong metal chelating ability.

1008-79-3

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1008-79-3 Usage

Uses

Used in Pharmaceutical Industry:
1-Phenyl-1H-pyrazol-3(2H)-one is used as a building block for the synthesis of various pharmaceuticals and agrochemicals, contributing to the development of new drugs and pesticides.
Used in Antimicrobial Applications:
1-Phenyl-1H-pyrazol-3(2H)-one is used as an antimicrobial agent, exhibiting inhibitory effects against various microorganisms, making it a potential candidate for the development of new antimicrobial drugs.
Used in Antioxidant Applications:
1-Phenyl-1H-pyrazol-3(2H)-one is used as an antioxidant, protecting cells from oxidative damage and potentially contributing to the development of new antioxidants for various applications.
Used in Anti-inflammatory Applications:
1-Phenyl-1H-pyrazol-3(2H)-one is used as an anti-inflammatory agent, reducing inflammation and potentially contributing to the development of new anti-inflammatory drugs.
Used in Analgesic Applications:
1-Phenyl-1H-pyrazol-3(2H)-one is used as an analgesic agent, providing pain relief and potentially contributing to the development of new pain management drugs.
Used in Fluorescent Probe Applications:
1-Phenyl-1H-pyrazol-3(2H)-one is used as a fluorescent probe for detecting various metal ions, due to its strong metal chelating ability, making it a potential candidate for the development of new analytical methods in the field of metal ion detection.

Check Digit Verification of cas no

The CAS Registry Mumber 1008-79-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,0 and 8 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1008-79:
(6*1)+(5*0)+(4*0)+(3*8)+(2*7)+(1*9)=53
53 % 10 = 3
So 1008-79-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H8N2O/c12-9-6-11(7-10-9)8-4-2-1-3-5-8/h1-5,7H,6H2

1008-79-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-phenyl-4H-imidazol-5-one

1.2 Other means of identification

Product number -
Other names 3-hydroxy-1-phenylpyrazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1008-79-3 SDS

1008-79-3Relevant academic research and scientific papers

Reaction of trifluoro-N-(oxo-λ4-sulfanylidene)methanesulfonamide with pyrazolidin-3-ones

Shainyan,Tolstikova

, p. 632 - 633 (2017)

Trifluoro-N-(oxo-λ4-sulfanylidene)methanesulfonamide reacted with 1-phenylpyrazolidin-3-one and 4-methyl-1-phenylpyrazolidin-3-one to give 1-phenyl-1,2-dihydro-3H-pyrazol-3-ones. A probable oxidation mechanism was proposed.

Decomposition of N-cyclopropyl-N-nitrosourea in the presence of reducing agents as a new way of generating the cyclopropyl radical

Tomilov,Kostyuchenko,Okonnishnikova,Klimenko,Shulishov

, p. 2008 - 2012 (2006)

A new way of generating cyclopropyl radicals in the base-catalyzed decomposition of N-cyclopropyl-N-nitrosourea in the presence of organic reducing agents (1-phenylpyrazolidin-3-one and 4-methoxyphenol) was developed. The cyclopropyl radical generated und

Solvent-free and montmorillonite K10-catalyzed domino reactions for the synthesis of pyrazoles with alkynylester as a dual synthon

Annes, Sesuraj Babiola,Ramesh, Subburethinam,Saritha, Rajendhiran,Shankar, Bhaskaran,Subramanian, Saravanan

supporting information, p. 2388 - 2393 (2020/05/13)

A highly regioselective, solvent-free and montmorillonite K10 clay-catalyzed domino process with an unprecedented ring-closing C-C bond-formation reaction is described for the synthesis of a new class of 1,3,4-trisubstituted and 1,4-disubstituted pyrazole

ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES

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Paragraph 0196, (2019/02/25)

A compound having a structure of the formula Ir(LA)(LB), in which LA is a bidentate, tridentate, tetradentate, pentadentate, or hexadentate ligand and LB is a monodentate, bidentate, tridentate, or tetradentate ligand, or not present, and where the total denticity of LA plus LB is 6, and LA includes at least one structure of Formula I: is disclosed as a useful phosphorescent emitter compound.

Amide compound and application thereof

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Paragraph 0144; 0149-0151, (2018/09/28)

The invention provides an amide compound and application thereof. Compared with compounds in the prior art, the compound disclosed by the invention has the advantage that the bactericidal activity isobviously improved. The invention is expected to develop a bactericide which is in novel structure and is used for controlling diseases in agriculture, forestry or sanitation.

Synthesis, fungicidal activity, structure-activity relationship and density functional theory studies of novel oxime ether derivatives containing 1-aryl-3-oxypyrazoles

Lv, Kunzhi,Liu, Yuanyuan,Li, Yi,Xu, Guanghui,Pan, Xuechun,Li, Fangshi,Chen, Kai,Huang, Bin,Yang, Yaping

, p. 594 - 600 (2015/11/27)

A series of 16 oxime ether derivatives containing 1-aryl-3-oxypyrazoles were synthesised, and the structure of one of them, (E)-methyl 2-(2-({(1-(4-chlorophenyl)-1H-pyrazol-3-yl)-oxy}methyl)phenyl)-2-(methoxyimino)acetate was determined by X-ray diffraction crystallography. Preliminary bioassays indicated that some of these compounds exhibited very good fungicidal activities against Rhizoctonia solani, especially the ester 2-(2-({(1-(4-chlorophenyl)-1H-pyrazol-3-yl)-oxy}methyl)phenyl)-2-(methoxyimino)acetate, which displayed greater activity than control compound pyraclostrobin at a dosage of 0.1 μg mL-1. The relationship between structure and fungicidal activity was discussed. Density functional theory studies of the 3-methyl heterocyclic ester and the 4-chorophenyl heterocyclic N-methylamide were carried out and the results discussed in terms of the wide difference in fungicidal activity shown by each compound.

Synthesis and fungicidal activity of novel chloro-containing 1-Aryl-3-oxypyrazoles with an oximino ester or oximino amide moiety

Liu, Yuanyuan,Li, Yi,Chen, Nanqing,Lv, Kunzhi,Zhou, Chao,Xiong, Xiaohui,Li, Fangshi

, p. 8140 - 8150 (2014/07/08)

Six novel chloro-containing 1-aryl-3-oxypyrazoles TMa-TMf with an oximino ester or an oximino amide moiety were prepared by the reaction of 1-aryl-1H-pyrazol-3-ols with benzyl bromide. Their structures were characterized by 1H-NMR, 13C-NMR, IR, MS, and elemental analysis. A preliminary in vitro bioassay indicated that compounds TMa, TMe and TMf displayed excellent fungicidal activity against Rhizoctonia solani and could be used as potential lead compounds for further development of novel fungicides.

TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES

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Page/Page column 955, (2013/11/18)

The present invention provides a compound having an excellent efficacy for controlling pests. A tetrazolinone compound of a formula (1): [wherein R1 represents an C6-C16 aryl group, an C1-C12 alkyl group, or a C3-C12 cycloalkyl group, etc., which each optionally be substituted; R2, R3, R4 and R5 represent independently of each other a hydrogen atom, a halogen atom or an C1-C3 alkyl group, etc.; R6 represents an C1-C6 alkyl group, a C3-C6 cycloalkyl group, a halogen atom, a C1-C6 haloalkyl group, an C2-C6 alkenyl group, an C1-C6 alkoxy group, or a C1-C6 haloalkoxy group, etc.; R7, R8 and R9 represent independently of each other a hydrogen atom, a halogen atom, or an C1-C4 alkyl group, etc.; X represents an oxygen atom or a sulfur atom; and R10 represents an C1-C6 alkyl group, etc.] shows an excellent controlling efficacy on pests.

DMF-catalyzed direct and regioselective C-H functionalization: Electrophilic/nucleophilic 4-halogenation of 3-oxypyrazoles

Liu, Yuanyuan,He, Guangke,Chen, Kai,Jin, Yin,Li, Yufeng,Zhu, Hongjun

, p. 5323 - 5330 (2011/11/13)

A novel, straightforward, and highly regioselective 4-chlorination of 3-oxypyrazole derivatives in boiling thionyl chloride (SOCl2) in the presence of catalytic N,N-dimethylformamide (DMF) has been developed. This reaction likely proceeds through a DMF-catalyzed electrophilic/nucleophilic chlorination mechanism and involves electrophilic attack by SOCl2 and nucleophilic substitution by Cl- as the key steps. Based on this mechanism, the corresponding 4-bromination and 4-iodination of 3-oxypyrazoles have also been achieved in good yield by adding Br- and I -, respectively, to the reaction system. This halogenation method enables quick access to many original 4-halo-3-oxypyrazole series. A novel DMF-catalyzed electrophilic/nucleophilic 4-halogenation of 3-oxypyrazole derivatives has been developed. This halogenation procedure provides quick access to many novel 4-halo-3-oxypyrazole series.

Synthesis, crystal structure and fungicidal activities of new type oxazolidinone-based strobilurin analogues

Li, Yuhao,Liu, Rui,Yan, Zhangwei,Zhang, Xiangning,Zhu, Hongjun

, p. 3341 - 3347 (2012/05/05)

A series of oxazolidinone-based strobilurin analogues were efficiently synthesized by the reaction of 3-(2-bromomethylphenyl) oxazolidin-2-one with 1-substituted phenyl-2H-pyrazolin-3-one. Their structures were confirmed and characterized by 1H-NMR, 13C-NMR, elemental analysis, and mass spectroscopy. In addition, the crystal structure of the target compound 3-(2-((1-phenyl-2H-pyrazol-3-yloxy)methyl)phenyl) oxazolidin-2-one was determined by single crystal X-ray diffraction. The bioassay results of these compounds indicated that some of the oxazolidin-2-one derivatives containing N-substituted phenyl 2H-pyrazol ring exhibited potential in vivo fungicidal activities against M. grisea at the dosage of 1 g L-1.

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