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3-(4-Fluorophenyl)-1H-pyrazole is an organic compound characterized by its white to light yellow crystal powder appearance. It is a derivative of the pyrazole family, which is a five-membered heterocyclic ring containing two nitrogen atoms, with a fluorophenyl group attached at the 3-position. 3-(4-Fluorophenyl)-1H-pyrazole is known for its unique chemical properties and potential applications in various industries.

154258-82-9

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154258-82-9 Usage

Uses

Used in Pharmaceutical Industry:
3-(4-Fluorophenyl)-1H-pyrazole is used as a pharmaceutical intermediate for the development of various drugs. Its unique chemical structure allows it to serve as a building block in the synthesis of a wide range of pharmaceutical compounds, particularly those targeting specific biological receptors or enzymes. The compound's versatility and reactivity make it a valuable asset in the design and synthesis of novel therapeutic agents.
As a pharmaceutical intermediate, 3-(4-Fluorophenyl)-1H-pyrazole plays a crucial role in the development of new drugs with improved efficacy, safety, and selectivity. Its application in the pharmaceutical industry is driven by the need for innovative and effective treatments for various diseases and conditions, including cancer, neurological disorders, and infectious diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 154258-82-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,4,2,5 and 8 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 154258-82:
(8*1)+(7*5)+(6*4)+(5*2)+(4*5)+(3*8)+(2*8)+(1*2)=139
139 % 10 = 9
So 154258-82-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H7FN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)

154258-82-9 Well-known Company Product Price

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  • Aldrich

  • (677221)  3-(4-Fluorophenyl)-1H-pyrazole  97%

  • 154258-82-9

  • 677221-5G

  • 1,010.88CNY

  • Detail

154258-82-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-Fluorophenyl)-1H-pyrazole

1.2 Other means of identification

Product number -
Other names 3-(4-Fluorophenyl)pyrazole

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

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More Details:154258-82-9 SDS

154258-82-9Relevant academic research and scientific papers

Synthesis of novel fluorophenylpyrazole-picolinamide derivatives and determination of their anticancer activity

Bj?rkling, Fredrik,Guguloth, Hanmanthu,Gundepaka, Prasad,Kankala, Shravankumar,Kesari, Chekrapani,Nerella, Srinivas,Rama, Koteshwar Rao,Thota, Niranjan

, p. 1 - 10 (2020/07/21)

A series of fluorophenylpyrazole-picolinamide derivatives were synthesized in high yields using a cross-coupling reaction catalyzed by in situ formed palladium-N-heterocyclic carbenes (Pd-NHCs). The synthesized novel derivatives were evaluated for in vitro anticancer activity against a panel of four human tumor cell lines, HeLa (cervical), A-549 (lung), MCF-7 (breast), and IMR-32 (neuroblastoma). Four compounds, 11c, 11e, 11j, and 11k, showed growth inhibition (low μM) comparable with the standard drug cisplatin, providing a preliminary structure–activity relationship for the series. The present procedure is operationally simple and works with a wide range of substrates and may thus be useful in further compound optimization.

Heck Reactions of Acrolein or Enones and Aryl Bromides – Synthesis of 3-Aryl Propenals or Propenones and Consecutive Application in Multicomponent Pyrazole Syntheses

Stephan, Marvin,Panther, Jesco,Wilbert, Fabio,Ozog, Pauline,Müller, Thomas J. J.

, p. 2086 - 2092 (2020/03/23)

3-(Hetero)aryl propenals or propenones are efficiently prepared by a Heck reaction of (hetero)aryl bromides and acrolein or vinyl ketones using Beller's CataCXium Ptb ligand under Jeffery's and Fu's conditions. The formation of these three-carbon building blocks is embedded into consecutive three- and pseudo-four-component syntheses of 3-(hetero)aryl and 3,5-diarylpyrazoles with a broad substitution pattern in moderate to excellent yield.

Preparation method of pyrazole derivative (by machine translation)

-

Paragraph 0066-0070, (2019/12/02)

The preparation method comprises the following steps: mixing an alkyne propyl alcohol derivative, a halogen source, an acid and a solvent, heating and reacting, and reacting to Meyer - Schuster generate the pyrazole derivative. Compared with the prior art, the preparation method disclosed by the invention has 91% the advantages of maximum yield, simple operation, mild conditions, high conversion rate, few byproducts and the like, and provides a brand-new synthetic method for construction of pyrazole compounds. (by machine translation)

Molybdenum-silver co-catalyzed cycloaddition of alkynes with: N -isocyanoiminotriphenylphosphorane (NIITP): An efficient strategy for the synthesis of monosubstituted pyrazoles

Mi, Pengbing,Lang, Jiajia,Lin, Shaojian

supporting information, p. 7986 - 7989 (2019/07/10)

A new molybdenum-silver co-catalyzed [3+2] cycloaddition of alkynes with N-isocyanoiminotriphenylphosphorane (NIITP) has been described. The NIITP serves as a non-toxic, facile "CNN" source. Over 30 substrates were successfully converted to the desired compounds in good to excellent yields.

Silver-Mediated [3 + 2] Cycloaddition of Alkynes and N-Isocyanoiminotriphenylphosphorane: Access to Monosubstituted Pyrazoles

Yi, Fanhua,Zhao, Wanjun,Wang, Zikun,Bi, Xihe

supporting information, p. 3158 - 3161 (2019/05/10)

A silver-mediated [3 + 2] cycloaddition of "CNN" and "C≡C" for constructing pyrazoles has been described. The "CNN" building block used is N-isocyanoiminotriphenylphosphorane, which is a stable, safe, easy-to-handle, and odorless solid isocyanide. The reaction is characterized by its mild conditions, broad substrate scope, and excellent functional group tolerance.

Novel crown ether functionalized imidazolium-based acidic ionic liquid catalyzed synthesis of pyrazole derivatives under solvent-free conditions

Patil, Dayanand,Chandam, Dattatraya,Mulik, Abhijeet,Jagdale, Suryabala,Patil, Prasad,Deshmukh, Madhukar

, p. 6843 - 6858 (2015/08/18)

Abstract An innovatively designed novel crown ether functionalized imidazolium-based reusable acidic ionic liquid [crown ether MIm] [HSO4] has been efficiently implemented for the synthesis of pyrazole derivatives using various substituted enaminones, hydrazine hydrate and phenyl hydrazine under solvent-free conditions. Structural novelty and task efficiency of the catalyst, high yields of desired products, greener approach attributing high atom economy and solvent-free conditions render this protocol suitable to cope with the current demand in contemporary organic chemistry. The inventive idea of utilizing crown ether functionalized ionic liquid as a catalyst was for the first time demonstrated in this protocol.

Discovery and in vitro and in vivo profiles of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)-1H-pyrazol-1-yl]ethyl]-2-(2H-1,2,3-triazol-2-yl)-benzamide as a novel class of dual orexin receptor antagonist

Suzuki, Ryo,Nozawa, Dai,Futamura, Aya,Nishikawa-Shimono, Rie,Abe, Masahito,Hattori, Nobutaka,Ohta, Hiroshi,Araki, Yuko,Kambe, Daiji,Ohmichi, Mari,Tokura, Seiken,Aoki, Takeshi,Ohtake, Norikazu,Kawamoto, Hiroshi

, p. 1260 - 1275 (2015/03/04)

Orexins play an important role in sleep/wake regulation, and orexin receptor antagonists are a focus of novel therapy for the treatment of insomnia. We identified 27e (TASP0428980) as a potent dual orexin receptor antagonist through the systematic modification of our original designed lead A. We demonstrated the potent sleep-promoting effects of 27e at ip dose of 3 mg/kg in a rat polysomnogram study. 27e exhibited relatively short half-life profiles in rats and dogs. Furthermore, accumulating evidence regarding ADME profiles indicates that the predicted human half-life of 27e should be 1.2-1.4 h. These data indicated that 27e has a short-acting hypnotic property, suggesting that 27e might be useful for treating primary insomnia while exhibiting a low risk of next-day residual somnolence. Thus, 27e and its related compounds should be further evaluated to enable advancement to clinical trials.

Trinuclear diamagnetic nickel(II) complexes with bridging 3-arylpyrazolato ligands

Salih, Kifah S. M.,Bergner, Susann,Kelm, Harald,Sun, Yu,Gruen, Anneken,Schmitt, Yvonne,Schoch, Roland,Busch, Mark,Deibel, Naina,Braese, Stefan,Sarkar, Biprajit,Bauer, Matthias,Gerhards, Markus,Thiel, Werner R.

, p. 6049 - 6059 (2014/01/06)

Orange-red trinuclear nickel(II) complexes are obtained by reacting Ni(ClO4)2(H2O)6 with 3(5)-arylpyrazoles in the presence of a base. Herein, the diamagnetic nickel centers are coordinated in a square-pyramidal manner by four pyrazolato ligands, each of which bridges two nickel sites. The structurally unique complexes were investigated by NMR, IR, fluorescence, and X-ray spectroscopy. All seven compounds described here were structurally elucidated by single-crystal X-ray diffraction. With 3(5)-ferrocenylpyrazole as the substrate, a nonametallic system that possesses six redox-active ferrocenyl moieties was obtained. The reactions of Ni(ClO4)2(H2O)6 with 3(5)-arylpyrazoles in the presence of a base lead to pyrazolate-bridged trinuclear nickel(II) complexes. This strategy allows the introduction of a broad variety of aromatic substituents such as redox-active sites or additional phosphine donors in the periphery of the trinuclear core. Copyright

Consecutive three-component synthesis of 3-(hetero)aryl-1H-pyrazoles with propynal diethylacetal as a three-carbon building block

Levi, Lucilla,Boersch, Christina,Gers, Charlotte F.,Merkul, Eugen,Mueller, Thomas J. J.

, p. 9340 - 9356 (2012/01/04)

A novel consecutive three-component synthesis of 3-(hetero)aryl-1H- pyrazoles via room temperature Sonogashira arylation of propynal diethylacetal used as a propargyl aldehyde synthetic equivalent has been disclosed. The final acetal cleavage-cyclocondensation with hydrazine hydrochloride at 80 °C rapidly furnishes the title compounds in a one-pot fashion.

An efficient solvent-free synthesis of NH-pyrazoles from β-dimethylaminovinylketones and hydrazine on grinding

Longhi, Kelvis,Moreira, Dayse N.,Marzari, Mara R.B.,Floss, Vagner M.,Bonacorso, Helio G.,Zanatta, Nilo,Martins, Marcos A.P.

supporting information; experimental part, p. 3193 - 3196 (2010/08/05)

A series of NH-pyrazoles was efficiently synthesized from the reaction of β-dimethylaminovinylketones ([R1C(O)C(R2){double bond, long}CHN(Me2)], where R1 = Me, Ph, 3-MeO-Ph, 4-Me-Ph, 4-MeO-Ph, 4-F-Ph, 4-Cl-Ph, 4

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