41213-04-1

Basic information

• Product Name: 1-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)PIPERAZINE
• Synonyms: chlorotrifluoromethylphenylpiperazine;1-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)PIPERAZINE;TIMTEC-BB SBB003071;1-(3-Trifluoromethyl-4-chlorophenyl)piperazine;Trifluormethylchlorphenylpiperazine;1-(3-Trifluormethyl-4-chlor-phenyl)-piperazine;1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine 97%;1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine97%
• CAS NO: 41213-04-1
• Molecular Formula: C₁₁H₁₂ClF₃N₂
• Molecular Weight: 264.67
• EINECS: 255-267-8
• Mol File: 41213-04-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 122 °C
• Flash Point: 169.9°C
• Appearance: /
• Density: 1.302g/cm³
• Vapor Pressure: 2.76E-05mmHg at 25°C
• Refractive Index: 1.499
• PKA: 8.74±0.10(Predicted)
• CAS DataBase Reference: 1-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)PIPERAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)PIPERAZINE(41213-04-1)
• EPA Substance Registry System: 1-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)PIPERAZINE(41213-04-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 41213-04-1(Hazardous Substances Data)

Usage

General Description

1-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)PIPERAZINE is a chemical compound with a molecular formula C11H12ClF3N2. It is a piperazine derivative with a phenyl ring containing a chlorine atom and a trifluoromethyl group. It is commonly used in the pharmaceutical industry as a building block for the synthesis of various bioactive compounds and drugs. This chemical has a wide range of pharmacological activities, including antihistaminic, antidepressant, and antipsychotic properties, and it is also used as a research tool in neuroscience studies. Additionally, it has been identified as a potential environmental contaminant, with studies finding its presence in various water sources. As a result, there is ongoing research and monitoring of its environmental impact and potential health hazards.

InChI:InChI=1/C11H12ClF3N2/c12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2

Upstream product

• 110-85-0 piperazine 
• 445-01-2 5-bromo-2-chlorobenzotrifluoride 
• 1121600-01-8 C₁₆H₂₀ClF₃N₂O₂ 
• 176976-42-4 (4-chloro-3-(trifluoromethyl)phenyl)boronic acid 

Downstream Products

• 65386-41-6 1-(2-benzyl-thiazol-4-ylmethyl)-4-(4-chloro-3-trifluoromethyl-phenyl)-piperazine 
• 91126-08-8 1-4-cyanaminomethylpiperazin 
• 81513-91-9 3-[4-(4-Chloro-3-trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-3H-benzooxazol-2-one 
• 331767-24-9 9-{4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-piperazin-1-yl]-butyl}-9H-fluorene-9-carboxylic acid-(2,2,2-trifluoroethyl)-amide 
• 91703-25-2 5-[4-(4-chloro-3-trifluoromethylphenyl)piperazin-1-yl]pyrrolidin-2-one 
• 1147398-49-9 (R)-2-{2-[4-(4-chloro-3-trifluoromethylphenyl)-piperazin-1-yl]-5-oxo-6,7-dihydro-5H-5λ4-thieno[3,2-d]pyrimidin-4-ylamino}-pentan-1-ol 
• 1135025-14-7 C₂₃H₂₂ClF₃N₄O₂S 
• 1369892-05-6 C₂₀H₂₀ClF₃N₂O 
• 1083075-58-4 carbamic acid 3-[4-(4-chloro-3-trifluoromethyl-phenyl)-piperazin-1-yl]-1-phenyl-propyl ester 
• 1369891-51-9 C₂₀H₂₂ClF₃N₂O 
• 1394867-83-4 2-{3-(4-chlorobenzoyl)-4-[(4-(4-chloro-3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl]-5-methylthiophen-2-yl}isoindoline-1,3-dione 
• 1394867-92-5 2-{3-(4-chlorobenzoyl)-5-phenyl-4-[(4-(4-chloro-3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl]thiophen-2-yl}isoindoline-1,3-dione 
• 1394868-04-2 2-{3-(4-chlorobenzoyl)-5-(4-chlorophenyl)-4-[(4-(4-chloro-3-(trifluoromethyl)phenyl)piperazin-1-yl)methyl]thiophen-2-yl}isoindoline-1,3-dione 

Relevant articles and documents

4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)- N -(4-methoxypyridin-2-yl) piperazine-1-carbothioamide (ML267), a potent inhibitor of bacterial phosphopantetheinyl transferase that attenuates secondary metabolism and thwarts bacterial growth

4′-Phosphopantetheinyl transferases (PPTases) catalyze a post-translational modification essential to bacterial cell viability and virulence. We present the discovery and medicinal chemistry optimization of 2-pyridinyl-N-(4-aryl)piperazine-1-carbothioamides, which exhibit submicromolar inhibition of bacterial Sfp-PPTase with no activity toward the human orthologue. Moreover, compounds within this class possess antibacterial activity in the absence of a rapid cytotoxic response in human cells. An advanced analogue of this series, ML267 (55), was found to attenuate production of an Sfp-PPTase-dependent metabolite when applied to Bacillus subtilis at sublethal doses. Additional testing revealed antibacterial activity against methicillin-resistant Staphylococcus aureus, and chemical genetic studies implicated efflux as a mechanism for resistance in Escherichia coli. Additionally, we highlight the in vitro absorption, distribution, metabolism, and excretion and in vivo pharmacokinetic profiles of compound 55 to further demonstrate the potential utility of this small-molecule inhibitor.