40004-29-3

Basic information

• Product Name: 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol
• Synonyms: 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol;2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethanol
• CAS NO: 40004-29-3
• Molecular Formula: C₁₃H₁₇F₃N₂O
• Molecular Weight: 274.2821
• Mol File: 40004-29-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 369.9°Cat760mmHg
• Flash Point: 177.5°C
• Appearance: /
• Density: 1.239g/cm³
• Vapor Pressure: 3.98E-06mmHg at 25°C
• Refractive Index: 1.506
• CAS DataBase Reference: 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol(40004-29-3)
• EPA Substance Registry System: 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol(40004-29-3)

Safety Data

• Hazardous Substances Data: 40004-29-3(Hazardous Substances Data)

Usage

Description

4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol is an organic compound that serves as a crucial intermediate in the pharmaceutical industry. It is characterized by its unique molecular structure, which includes a trifluoromethylphenyl group attached to a piperazineethanol backbone. 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol is known for its potential applications in the development of various therapeutic agents.

Uses

Used in Pharmaceutical Industry:
4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol is used as an intermediate in the synthesis of Antrafenine (A697800), a phenylpiperazine derivative drug. It plays a vital role in the development of this drug due to its unique molecular structure, which contributes to the drug's analgesic and anti-inflammatory properties.
As an intermediate, 4-[3-(Trifluoromethyl)phenyl]-1-piperazineethanol is essential for the production of Antrafenine, which is utilized in the treatment of pain and inflammation. Its presence in the synthesis process allows for the creation of a drug with potent therapeutic effects, making it a valuable component in the pharmaceutical industry.

InChI:InChI=1/C13H17F3N2O/c14-13(15,16)11-2-1-3-12(10-11)18-6-4-17(5-7-18)8-9-19/h1-3,10,19H,4-9H2

Upstream product

• 76835-14-8 1-[3-(trifluoromethyl)phenyl]piperazine hydrochloride 
• 540-51-2 2-bromoethanol 
• 107-07-3 2-chloro-ethanol 
• 624-76-0 Iodoethanol 
• 98-16-8 3-trifluoromethylaniline 

Downstream Products

• 90096-20-1 2-[4-(3-Trifluoromethylphenyl)-1-piperazinyl]ethyl acetoacetate 
• 141473-94-1 4-(3-Trifluoromethylphenyl)-1-[2-(3,4,5-trimethoxyphenylcarbamoyloxy)ethyl]piperazine, hydrochloride 
• 55432-92-3 2-chloro-nicotinic acid 2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl ester 
• 64615-19-6 2-[4-(3-trifluoromethylphenyl)-1-piperazinyl]-ethyl 3-(7-chloro-4-quinolylamino)-2-thiophene-carboxylate 
• 64615-15-2 3-(8-trifluoromethyl-quinolin-4-ylamino)-thiophene-2-carboxylic acid 2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl ester 
• 57061-71-9 1-chloro-2-[4-(3-trifluoromethylphenyl)piperazin-1-yl]ethane 
• 670234-47-6 1-(2-chloro-ethyl)-4-(3-trifluoromethyl-phenyl)-piperazine; hydrochloride 
• 55300-29-3 antrafenine 

Relevant articles and documents

Preparation method of flibaserin hydrochloride

The invention relates to the technical field of synthesis of medical intermediates, particularly to a preparation method of flibaserin hydrochloride. According to the preparation method, o-phenylenediamine and 3-trifluoromethylphenylpyrazine are used as raw materials; o-phenylenediamine reacts with ethyl acetoacetate to obtain a compound 10-1-G; the 3-trifluoromethylphenylpyrazine compound I is subjected to a two-step substitution reaction to obtain a compound 10-1-B; and the compound 10-1-B and the compound 10-1-G are subjected to a substitution reaction to obtain a final product compound flibaserin hydrochloride. The invention aims to reduce the cost, optimize the process and facilitate industrial production. The method is simple and convenient to operate, reasonable in reaction process,low in production cost, good in product quality, free of environmental pollution and suitable for industrial production, wherein the content of the product is higher than 99.5%.

Preparation method of flibaserin intermediate

The invention discloses a method belonging to the field of heterocyclic compounds, and concretely relates to a preparation method of a flibaserin intermediate. The preparation method comprises the following steps of (1) dissolving 1-(3-trifluoromethylphenyl) piperazine hydrochloride in a solvent a, and reacting with 2-halogenated ethanol or ethylene oxide in the presence of alkali to obtain 2-(4-(3-trifluoromethylphenyl) piperazine-1-ethanol; (2) reacting the 2-(4-(3-trifluoromethylphenyl) piperazine-1-ethanol with a chloride agent compound to obtain a compound as shown in a formula I. According to the preparation method, the reaction selectivity is improved, the generation of impurities is reduced, the product purity is improved, and the preparation method is simple and convenient to operate, environmentally-friendly, and beneficial for industrialized mass production.

Substituted heterocyclylalkyl esters of 1,4-dihydropyridine-3,5-dicarboxylic acids

Dihydropyridine derivatives and acid addition salts thereof which are of use as prophylactic or/and therapeutic drugs for cardiovascular diseases, said dihydropyridine derivatives having the formula STR1 wherein R1, R2 and R3 are the same or different and each is alkyl, cycloalkyl, cycloalkylalkyl or alkoxyalkyl; R4 and R5 are the same or different and each is hydrogen, halogen, nitro, trifluoromethyl, alkyl, cycloalkyl, alkoxy, cyano, alkoxycarbonyl or alkylthio; R6 is hydrogen, alkyl, cycloalkyl, aralkyl, aryl or a pyridyl; X is oxygen, sulfur, vinylene, azomethine or a group of the formula STR2 A is alkylene; Ar is aryl or a pyridyl; m is an integer of 1 to 3; n is an integer of 0 to 2.