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2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE is a chemical compound characterized by a molecular structure that features a pyridine ring linked to a trifluoromethyl-phenyl group through a ketone functional group. 2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE is known for its aromatic and carbonyl functional groups, which enable it to engage in a broad spectrum of chemical reactions. Its molecular composition, including the pyridine moiety—a prevalent structural element in numerous pharmaceutical agents—and the trifluoromethyl substituent, suggests potential applications in medicinal and biological chemistry, with the latter potentially enhancing biological activity and chemical stability.

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  • 125996-71-6 Structure
  • Basic information

    1. Product Name: 2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE
    2. Synonyms: 2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE
    3. CAS NO:125996-71-6
    4. Molecular Formula: C14H10F3NO
    5. Molecular Weight: 265.23
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 125996-71-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE(125996-71-6)
    11. EPA Substance Registry System: 2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE(125996-71-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 125996-71-6(Hazardous Substances Data)

125996-71-6 Usage

Uses

Used in Pharmaceutical Synthesis:
2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE is utilized as an intermediate in the synthesis of various pharmaceuticals, leveraging its versatile chemical reactivity and structural features to contribute to the development of new drugs.
Used in Agrochemical Production:
In the agrochemical industry, 2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE serves as an intermediate, playing a crucial role in the creation of compounds designed to protect crops and enhance agricultural productivity.
Used in Medicinal Chemistry Research:
2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE is employed as a research compound in medicinal chemistry, where its pyridine ring and trifluoromethyl group are studied for their potential to improve the efficacy and stability of drug candidates.
Used in Biological Chemistry Applications:
2-PYRIDIN-4-YL-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHANONE is also used in biological chemistry for exploring its interactions with biological systems, potentially leading to the discovery of new bioactive molecules or insights into biological processes.

Check Digit Verification of cas no

The CAS Registry Mumber 125996-71-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,5,9,9 and 6 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 125996-71:
(8*1)+(7*2)+(6*5)+(5*9)+(4*9)+(3*6)+(2*7)+(1*1)=166
166 % 10 = 6
So 125996-71-6 is a valid CAS Registry Number.

125996-71-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanone

1.2 Other means of identification

Product number -
Other names Ethanone,2-(4-pyridinyl)-1-[4-(trifluoromethyl)phenyl]

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:125996-71-6 SDS

125996-71-6Relevant articles and documents

THERAPEUTIC METHODS AND COMPOUNDS

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Page/Page column 20-22; 69, (2020/11/03)

The invention provides a compound of formula I: (I) or a pharmaceutically acceptable salt thereof, wherein R1-R5 Y have any of the values described in the specification, as well as compositions comprising a compound of formula I. The compounds are useful to treat malaria.

Continuous-Flow Synthesis of 2 H -Azirines and Their Diastereoselective Transformation to Aziridines

Baumann, Marcus,Baxendale, Ian R.

supporting information, p. 159 - 163 (2015/12/26)

Using continuous-flow techniques, a small collection of 2H-azirines was prepared from oxime precursors via mesylation and base-promoted cyclisation. The 2H-azirines were either isolated after in-line purification or derivatised into a selection of 2-subst

Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase

Walker, John K.,Selness, Shaun R.,Devraj, Rajesh V.,Hepperle, Michael E.,Naing, Win,Shieh, Huey,Kurambail, Ravi,Yang, Syaulan,Flynn, Daniel L.,Benson, Alan G.,Messing, Dean M.,Dice, Tom,Kim, Tina,Lindmark,Monahan, Joseph B.,Portanova, Joseph

scheme or table, p. 2634 - 2638 (2010/07/13)

Starting from an initial HTS screening lead, a novel series of C(5)-substituted diaryl pyrazoles were developed that showed potent inhibition of p38α kinase. Key to this outcome was the switch from a pyridyl to pyrimidine at the C(4)-position leading to analogs that were potent in human whole blood based cell assay as well as in a number of animal efficacy models for rheumatoid arthritis. Ultimately, we identified a clinical candidate from this substrate; SD-0006.

Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents

Biftu, Tesfaye,Feng, Dennis,Ponpipom, Mitree,Girotra, Narindar,Liang, Gui-Bai,Qian, Xiaoxia,Bugianesi, Robert,Simeone, Joseph,Chang, Linda,Gurnett, Anne,Liberator, Paul,Dulski, Paula,Leavitt, Penny Sue,Crumley, Tami,Misura, Andrew,Murphy, Terence,Rattray, Sandra,Samaras, Samantha,Tamas, Tamas,Mathew, John,Brown, Christine,Thompson, Don,Schmatz, Dennis,Fisher, Michael,Wyvratt, Matthew

, p. 3296 - 3301 (2007/10/03)

Several analogs of 2,3-diaryl pyrroles were synthesized and evaluated as inhibitors of Eimeria tenella cGMP-dependent protein kinase and in in vivo anticoccidial assays. A 4-fluorophenyl group enhances both in vitro and in vivo activities. The most potent

Adenosine A3 receptor antagonists

-

, (2008/06/13)

A pharmaceutical composition for antagonizing adenosine at adenosine A3receptors which comprises a 1,3-azole compound substituted on the 4- or 5-position, or both, by a pyridyl which may be substituted is provided and can be used as a prophylactic and therapeutic agent for asthma, allergosis, inflammation, and so on.

Novel piperidine σ receptor ligands as potential antipsychotic drugs

Gilligan,Cain,Christos,Cook,Drummond,Johnson,Kergaye,McElroy,Rohrbach,Schmidt,Tam

, p. 4344 - 4361 (2007/10/02)

σ receptor ligands represent a new class of potential antipsychotic drugs. This paper presents the structure-activity relationships leading to novel disubstituted piperidine σ ligands, which have little or no affinity for dopamine D2 receptors. Selectivity for σ sites over dopamine D2 or serotonin 5-HT2 receptors appears to be governed by the chemical nature of the piperidine nitrogen substituent, its distance from the basic nitrogen, and its orientation relative to the other piperidine substituent. Several of these compounds have good oral potency in some animal models used to evaluate potential antipsychotic drugs. The N-cyclopropylmethyl ketones and ethers (e.g. 6i (DuP 734), 6q, 18a, and 18n) have the best in vivo potency. Compounds 6i (DuP 734) and 6q did not cause catalepsy in the rat, even at very high doses. On the basis of the pharmacology profiles of these σ ligands, we propose these compounds may be effective antipsychotic drugs, which do not induce extrapyramidal side effects or tardive dyskinesia.

Rate-equilibrium relationships for the deprotonation of 4-phenacylpyridines and 4-phenacylpyridinium cations

Stefanidis, Dimitrios,Bunting, John W.

, p. 3163 - 3168 (2007/10/02)

Substituent effects upon the equilibria and kinetics of enolate ion formation from eight 4-(X-phenacyl)pyridines (5), eight 1-methyl-4-(X-phenacyl)pyridinium cations (6), five 1-benzyl-4-(X-phenacyl)pyridinium cations (7), and eight 1-(X-benzyl)-4-phenacy

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