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

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

Uses

Used in Pharmaceutical Industry:
1-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)PIPERAZINE is used as a building block for the synthesis of various bioactive compounds and drugs due to its diverse pharmacological properties.
Used in Neuroscience Research:
1-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)PIPERAZINE is used as a research tool in neuroscience studies to explore and understand various biological processes and mechanisms.
Used in Environmental Studies:
1-(4-CHLORO-3-TRIFLUOROMETHYLPHENYL)PIPERAZINE is studied as a potential environmental contaminant to assess its presence in water sources and evaluate its impact on the environment and human health.

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

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

Downstream Products

• 65386-41-6 1-(2-benzyl-thiazol-4-ylmethyl)-4-(4-chloro-3-trifluoromethyl-phenyl)-piperazine 
• 91703-25-2 5-[4-(4-chloro-3-trifluoromethylphenyl)piperazin-1-yl]pyrrolidin-2-one 
• 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 
• 1369891-51-9 C₂₀H₂₂ClF₃N₂O 
• 1083075-58-4 carbamic acid 3-[4-(4-chloro-3-trifluoromethyl-phenyl)-piperazin-1-yl]-1-phenyl-propyl ester 
• 1369892-05-6 C₂₀H₂₀ClF₃N₂O 
• 1135025-14-7 C₂₃H₂₂ClF₃N₄O₂S 
• 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 
• 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 
• 81513-91-9 3-[4-(4-Chloro-3-trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-3H-benzooxazol-2-one 
• 91126-08-8 1-4-cyanaminomethylpiperazin 

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.

Modulators of dopamine neurotransmission

New substituted 4-phenyl N-alkyl)-piperazine and 4-phenyl-N-alkyl)-piperidine compounds of Formula (1) wherein X is N, CH, or C, however X may only be C when the compound comprises a double bind at the dotted line; R1 is CF3, OSO2CF3, OSO2CH3, SOR7, SO2R7, COR7, CN, OR3, NO2, CONHR3, 3-thiophene, 2-thiophene, 3-furane, 2-furane, F, Cl, Br, or I; R2 is F, Cl, Br, I, CN, CF3, CH3, OCH3, OH, and NH2; R3 and R4 are independently H or a C1-C4 alkyl; R5 is a C1-C4 alkyl, an allyl, CH2SCH3, CH2CH2OCH3, CH2CH2CH2F, CH2CF3, 3,3,3-trifluoropropyl, 4,4,4-trifluorobutyl, or —(CH2)—R6; R6 is a C3-C6 cycloalkyl, 2-tetrahydrofurane, or 3-tetrahydrofurane; R7 is a C1-C3 alkyl, CF3, or N(R4)2, and pharmaceutically acceptable salts thereof are disclosed. Also pharmaceutical compositions comprising the above compounds and methods wherein the above compounds are used for treatment of disorders in the central nervous system are disclosed.