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1-(3-Bromophenyl)-4,4,4-trifluorobutane-1,3-dione is a chemical compound characterized by the molecular formula C10H9BrO2F3. It is a yellow solid that exhibits high solubility in organic solvents. 1-(3-BROMOPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE serves as a versatile building block in the synthesis of pharmaceuticals and agrochemicals, and is also utilized as a masked fluoromethyl anion source in organic synthesis. Its applications extend to the preparation of trifluorobutyl-containing building blocks and as a starting material in medicinal chemistry for the development of potential anti-inflammatory, anti-tumor, and antimicrobial agents.

23975-64-6

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23975-64-6 Usage

Uses

Used in Pharmaceutical Industry:
1-(3-Bromophenyl)-4,4,4-trifluorobutane-1,3-dione is used as a building block for the development of pharmaceuticals due to its ability to enhance the properties of drug molecules, such as solubility and bioavailability.
Used in Agrochemical Industry:
In the agrochemical industry, 1-(3-bromophenyl)-4,4,4-trifluorobutane-1,3-dione is employed as a building block for the synthesis of agrochemicals, contributing to the creation of more effective and targeted pesticides and other agricultural chemicals.
Used in Organic Synthesis:
1-(3-Bromophenyl)-4,4,4-trifluorobutane-1,3-dione is used as a masked fluoromethyl anion source in organic synthesis, enabling the introduction of fluoromethyl groups into various organic compounds, which can improve their reactivity and stability.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 1-(3-bromophenyl)-4,4,4-trifluorobutane-1,3-dione is used as a starting material for the synthesis of potential anti-inflammatory, anti-tumor, and antimicrobial agents, leveraging its unique structural features to develop novel therapeutic agents.
Used in the Preparation of Trifluorobutyl-Containing Building Blocks:
1-(3-Bromophenyl)-4,4,4-trifluorobutane-1,3-dione is utilized in the preparation of trifluorobutyl-containing building blocks, which are valuable intermediates in the synthesis of a wide range of chemical compounds, including specialty chemicals and advanced materials.

Check Digit Verification of cas no

The CAS Registry Mumber 23975-64-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,3,9,7 and 5 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 23975-64:
(7*2)+(6*3)+(5*9)+(4*7)+(3*5)+(2*6)+(1*4)=136
136 % 10 = 6
So 23975-64-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H6BrF3O2/c11-7-3-1-2-6(4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2

23975-64-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-BROMOPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE

1.2 Other means of identification

Product number -
Other names 1,3-Butanedione,1-(3-bromophenyl)-4,4,4-trifluoro

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:23975-64-6 SDS

23975-64-6Relevant academic research and scientific papers

5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY

-

Page/Page column 403, (2021/05/21)

The invention relates to heteroaryl compounds, pharmaceutically acceptable salts thereof, and pharmaceutical preparations thereof. Also described herein are compositions and the use of such compounds in methods of treating diseases and conditions mediated by deficient CFTR activity, in particular cystic fibrosis.

Design, synthesis and structure-activity evaluation of novel 2-pyridone-based inhibitors of α-synuclein aggregation with potentially improved BBB permeability

Díaz-de-Villegas, María D.,Gálvez, José A.,José Galano-Frutos, Juan,Mahía, Alejandro,Navarro, Susanna,Pallarés, Irantzu,Pe?a-Díaz, Samuel,Pujols, Jordi,Sancho, Javier,Ventura, Salvador

, (2021/11/16)

The treatment of Parkinson's disease (PD), the second most common neurodegenerative human disorder, continues to be symptomatic. Development of drugs able to stop or at least slowdown PD progression would benefit several million people worldwide. SynuClea

An SAR study of hydroxy-trifluoromethylpyrazolines as inhibitors of Orai1-mediated store operated Ca2+ entry in MDA-MB-231 breast cancer cells using a convenient Fluorescence Imaging Plate Reader assay

Stevenson, Ralph J.,Azimi, Iman,Flanagan, Jack U.,Inserra, Marco,Vetter, Irina,Monteith, Gregory R.,Denny, William A.

, p. 3406 - 3413 (2018/05/24)

The proteins Orai1 and STIM1 control store-operated Ca2+ entry (SOCE) into cells. SOCE is important for migration, invasion and metastasis of MDA-MB-231 human triple negative breast cancer (TNBC) cells and has been proposed as a target for cancer drug discovery. Two hit compounds from a medium throughput screen, displayed encouraging inhibition of SOCE in MDA-MB-231 cells, as measured by a Fluorescence Imaging Plate Reader (FLIPR) Ca2+ assay. Following NMR spectroscopic analysis of these hits and reassignment of their structures as 5-hydroxy-5-trifluoromethylpyrazolines, a series of analogues was prepared via thermal condensation reactions between substituted acylhydrazones and trifluoromethyl 1,3-dicarbonyl arenes. Structure-activity relationship (SAR) studies showed that small lipophilic substituents at the 2- and 3-positions of the RHS and 2-, 3- and 4-postions of the LHS terminal benzene rings improved activity, resulting in a novel class of potent and selective inhibitors of SOCE.

Liver X Receptor (LXR) partial agonists: Biaryl pyrazoles and imidazoles displaying a preference for LXRβ

Kick, Ellen,Martin, Richard,Xie, Yinong,Flatt, Brenton,Schweiger, Edwin,Wang, Tie-Lin,Busch, Brett,Nyman, Michael,Gu, Xiao-Hui,Yan, Grace,Wagner, Brandee,Nanao, Max,Nguyen, Lam,Stout, Thomas,Plonowski, Artur,Schulman, Ira,Ostrowski, Jacek,Kirchgessner, Todd,Wexler, Ruth,Mohan, Raju

, p. 372 - 377 (2015/04/27)

A series of biaryl pyrazole and imidazole Liver X Receptor (LXR) partial agonists has been synthesized displaying LXRβ selectivity. The LXRβ selective partial agonist 18 was identified with potent induction of ATP binding transporters ABCA1 and ABCG1 in human whole blood (EC50 = 1.2 μM, 55% efficacy). In mice 18 displayed peripheral induction of ABCA1 at 3 and 10 mpk doses with no significant elevation of plasma or hepatic triglycerides at these doses, showing an improved profile compared to a full pan-agonist.

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