23975-60-2

Basic information

• Product Name: 1-(2-CHLOROPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE
• Synonyms: 1-(2-CHLOROPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE;1-(2-CHLOROPHENYL)-4,4,4-TRIFLUORO-1,3-BUTANEDIONE;1-(2-Chlorobenzoyl)-3,3,3-trifluoroacetone
• CAS NO: 23975-60-2
• Molecular Formula: C₁₀H₆ClF₃O₂
• Molecular Weight: 250.6
• Mol File: 23975-60-2.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 116°C/1mm
• Appearance: /
• CAS DataBase Reference: 1-(2-CHLOROPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-CHLOROPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE(23975-60-2)
• EPA Substance Registry System: 1-(2-CHLOROPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE(23975-60-2)

Safety Data

• Hazardous Substances Data: 23975-60-2(Hazardous Substances Data)

Usage

General Description

1-(2-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione, also known as 2-Chlorophenyl fluorodifenyl methyl ketone, is a chemical compound with the molecular formula C10H7ClF3O2. It is a white crystalline powder with a molecular weight of 264.61 g/mol. 1-(2-CHLOROPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE is often used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It can also act as a precursor for various organic reactions. Additionally, it is a useful building block in the synthesis of more complex chemical compounds. However, it is important to handle this compound with caution, as it can pose health and environmental hazards if not properly managed.

Upstream product

• 407-38-5 2,2,2-trifluoroethyl trifluoroacetate 
• 2142-68-9 1-(2-chlorophenyl)ethanone 
• 383-63-1 ethyl trifluoroacetate, 

Downstream Products

• 118-91-2 ortho-chlorobenzoic acid 
• 50878-84-7 1-(2-chlorophenyl)-2-diazoethan-1-one 
• 1260243-02-4 ethyl 5-(2-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate 

Relevant articles and documents

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

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.

NOVEL COMPOUNDS AS ROR GAMMA MODULATORS

The present disclosure is directed to compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein ring A, ring B, L, R1, R2, R3, R4, R5, Ra, Rb, n, m, p and q are as defined herein, which are active as modulators of retinoid-related orphan receptor gamma t (RORγt). These compounds prevent, inhibit, or suppress the action of RORγt and are therefore useful in the treatment of RORγt mediated diseases, disorders, syndromes or conditions such as, e.g., pain, inflammation, COPD, asthma, rheumatoid arthritis, colitis, multiple sclerosis, psoriasis, neurodegenerative diseases and cancer.

Synthesis and characterization of the titanium complexes bearing two β-enaminoketonato ligands with electron withdrawing groups/modified phenyls and their behaviors for ethylene (co-)polymerization

A series of new titanium complexes with two asymmetric bidentate β-enaminoketonato [N,O] ligands (2b-t), [PhNC(CF3)CHC(Ar)O] 2TiCl2 (2b, Ar = -C6H4F(o); 2c, Ar = -C6H4F(m); 2d, Ar = -C6H4F(p); 2e, Ar = -C6H4Cl(p); 2f, Ar = -C6H 4OMe(p); 2g, Ar = -C6H4CF3(p); 2h, Ar = -C6H4CF3(m); 2i, Ar = -C6H 4CF3(o); 2j, Ar = -C6H4Cl(o); 2k, Ar = -C6H4Br(o); 2l, Ar = -C6H4I(o); 2m, Ar = -C6H3F2(2,4); 2n, Ar = -C 6H3F2(2,6); 2o, Ar = -C6H 3F2(3,4); 2p, Ar = -C6H3F 2(3,5); 2q, Ar = -C6F5; 2r, Ar = C 6F4OMe; 2s, Ar = -C6H3Cl 2(2,6); 2t, Ar = -C6H3Cl2(2,5)), have been synthesized based on substituted acetophenones. X-Ray analyses reveal that complexes 2h, 2k, 2m, and 2n adopt distorted octahedral geometry around the titanium center, in which the two chloride ligands are situated in the cis-orientation. 2s also adopts distorted octahedral geometry, but the two chloride ligands in it are situated in the trans-orientation due to the increase of the steric effect of the phenyl derived from the acetophenone. The influence of the substituent effects on catalyst performance, including catalytic activities and the molecular weight distribution of the polymers obtained, was investigated in detail. With modified methylaluminoxane (MMAO) as a cocatalyst, complexes 2b-r and 2t are active catalysts for ethylene polymerization at room temperature, and produce high molecular weight polymers. It is observed that the catalytic activities are significantly enhanced by introducing some electron-withdrawing groups, such as -F, -Cl and -CF3, into the suitable positions of the phenyl ring close to the oxygen donor. It should be noted that complexes 2c-i, 2p, 2n and 2t are also capable of promoting the living copolymerization of ethylene with norbornene at room temperature, yielding high molecular weight copolymers with narrow molecular weight distributions (PDI = 1.05-1.30). The Royal Society of Chemistry 2010.