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1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE is a chemical compound with the molecular formula C11H10N2O. It is a ketone derivative that contains a pyrazole ring and a phenyl group. 1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE is commonly used in the production of pharmaceuticals, agrochemicals, and organic synthesis. It can also be used as a building block in the preparation of various organic compounds. 1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE has potential applications in medicinal chemistry and drug discovery due to its diverse reactivity and pharmacological properties. Additionally, its structural features make it a valuable tool for creating new molecules with potential biological activity.

3968-40-9

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3968-40-9 Usage

Uses

Used in Pharmaceutical Industry:
1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE is used as an intermediate in the synthesis of various pharmaceutical compounds for its diverse reactivity and pharmacological properties.
Used in Agrochemical Industry:
1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE is used as a building block in the preparation of agrochemicals, contributing to the development of new molecules with potential biological activity.
Used in Organic Synthesis:
1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE is used as a key component in organic synthesis, enabling the creation of a wide range of organic compounds.
Used in Medicinal Chemistry and Drug Discovery:
1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE is used as a valuable tool in medicinal chemistry and drug discovery, due to its potential to create new molecules with promising biological activity.

Check Digit Verification of cas no

The CAS Registry Mumber 3968-40-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,9,6 and 8 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 3968-40:
(6*3)+(5*9)+(4*6)+(3*8)+(2*4)+(1*0)=119
119 % 10 = 9
So 3968-40-9 is a valid CAS Registry Number.
InChI:InChI=1/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3

3968-40-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Acetyl-1-phenyl-1H-pyrazole

1.2 Other means of identification

Product number -
Other names 4-acetyl-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:3968-40-9 SDS

3968-40-9Relevant academic research and scientific papers

Unveiling Potent Photooxidation Behavior of Catalytic Photoreductants

Targos, Karina,Williams, Oliver P.,Wickens, Zachary K.

supporting information, p. 4125 - 4132 (2021/04/07)

We describe a photocatalytic system that reveals latent photooxidant behavior from one of the most reducing conventional photoredox catalysts, N-phenylphenothiazine (PTH). This aerobic photochemical reaction engages difficult to oxidize feedstocks, such as benzene, in C(sp2)-N coupling reactions through direct oxidation. Mechanistic studies are consistent with activation of PTH via photooxidation and with Lewis acid cocatalysts scavenging inhibitors inextricably formed in this process.

Electrophotocatalysis with a Trisaminocyclopropenium Radical Dication

Huang, He,Strater, Zack M.,Rauch, Michael,Shee, James,Sisto, Thomas J.,Nuckolls, Colin,Lambert, Tristan H.

supporting information, p. 13318 - 13322 (2019/08/12)

Visible-light photocatalysis and electrocatalysis are two powerful strategies for the promotion of chemical reactions. Here, these two modalities are combined in an electrophotocatalytic oxidation platform. This chemistry employs a trisaminocyclopropenium (TAC) ion catalyst, which is electrochemically oxidized to form a cyclopropenium radical dication intermediate. The radical dication undergoes photoexcitation with visible light to produce an excited-state species with oxidizing power (3.33 V vs. SCE) sufficient to oxidize benzene and halogenated benzenes via single-electron transfer (SET), resulting in C?H/N?H coupling with azoles. A rationale for the strongly oxidizing behavior of the photoexcited species is provided, while the stability of the catalyst is rationalized by a particular conformation of the cis-2,6-dimethylpiperidine moieties.

Acetylacetaldehyde Dimethyl Acetal as Versatile Precursors for the Synthesis of Arylazonicotinic Acid Derivatives: Green Multicomponent Syntheses of Bioactive Poly-Heteroaromatic Compounds

Hassaneen, Huwaida M. E.,Abdelhamid, Ismail A.

, p. 1048 - 1053 (2017/03/27)

A simple and efficient one-pot synthesis of interesting arylhydrazonals could be achieved via coupling of acetylacetaldehyde dimethyl acetal with aromatic diazonium salts. Dimroth type rearrangement was observed during the reaction of the arylhydrazonals with malononitrile or ethyl cyanoacetate leading to the formation of arylazonicotinic acid derivatives. The reaction of arylhydrazonals with malononitrile and aldehydes in the presence of DABCO afforded 4-styryl-1,2-dihydropyridine-3-carbonitrile whose structure was established by X-ray crystallography. Pyrazolyl-enaminone was accomplished and used as a scaffold to synthesize bioactive fused heterocyclic compounds such as 1,2,4-triazolo[1,5-a]pyrimidine 28, benzo[4,5]imidazo[1,2-a]pyrimidine 30 and pyrazole[1,5-a]pyrimidine derivatives 32.

Cycloaddition Reactions of 1-tert-Butyl-4-vinylpyrazole

Sepulveda-Arques, Jose,Medio-Simon, Mercedes,Piqueres-Vidal, Lourdes

, p. 1113 - 1118 (2007/10/02)

1-tert-Butyl-4-vinylpyrazole 1a reacts with dimethyl acetylenedicarboxylate (DMAP), methyl propiolate (MP) and N-phenylmaleimide (NPMI) affording the indazole derivatives 2, 3, and 5 as a result of a Diels-Alder () cycloaddition.With diethylazodicarb

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