79066-90-3

Basic information

• Product Name: 2,2,2-trifluoro-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
• CAS NO: 79066-90-3
• Molecular Weight: 229.202
• Mol File: 79066-90-3.mol
• Article Data: 15

Chemical Properties

• CAS DataBase Reference: 2,2,2-trifluoro-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,2-trifluoro-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone(79066-90-3)
• EPA Substance Registry System: 2,2,2-trifluoro-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone(79066-90-3)

Safety Data

• Hazardous Substances Data: 79066-90-3(Hazardous Substances Data)

Usage

Appearance

Pale yellow to brown liquid.

Odor

Strong.

Usage

Commonly used as a reagent in organic synthesis.

Application in pharmaceutical industry

Used as an intermediate for the synthesis of various drugs, such as antimalarial and antipsychotic agents.

Potential uses

Studied for its potential use as a herbicidal and insecticidal agent.

Safety concerns

Potential toxicity and flammability require proper handling and storage measures.

Upstream product

• 635-46-1 1,2,3,4-tetrahydroisoquinoline 
• 407-25-0 trifluoroacetic anhydride 

Downstream Products

• 14026-45-0 6-nitro-1,2,3,4-tetrahydroquinoline 
• 5455-83-4 N,N-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide 
• 1152601-10-9 N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide 
• 142852-00-4 1methyl-7-[1-oxo-3-[1-(phenylmethyl)piperidin-4-yl]propyl]-1,2,3,4-tetrahydroquinoline 

Relevant articles and documents

Compounds with cardiac myosin activating function and pharmaceutical composition containing the same for treating or preventing heart failure

The present invention relates to a compound having a cardiotonic activating function and a pharmaceutical composition containing the same. The composition comprising the compound according to the present invention is effective in preventing or treating heart failure. In addition, the compound is represented by chemical formula 2 or is pharmaceutically acceptable salt thereof.COPYRIGHT KIPO 2016

A COMPOUND AND PHARMACEUTICAL COMPOUND FOR TREATMENT OF INFLAMMATORY DISEASES

The present invention relates to a pharmaceutical composition for treating inflammatory diseases, comprising: a compound represented by chemical formula I, a pharmaceutically acceptable salt thereof; a hydrate thereof; or a compound as a solvate thereof,

Synthesis of 6-nitro-1,2,3,4-tetrahydroquinoline: An experimental and theoretical study of regioselective nitration

A revision of the literature on the nitration of tetrahydroquinolines yielded a number of inconsistencies. Thus, we have carried out a thorough study on the nitration of tetrahydroquinoline and several of its N-protected derivatives both experimentally and at theoretical level. Usually, nitration is carried out in acidic conditions and, thus, tetrahydroquinoline would be N-protonated; however, if the amino group is protected, the neutral system will be the one undergoing nitration. Different protecting groups have been explored varying, not only electronic and steric effects, but also deprotection conditions. Additionally, different reagents and reaction conditions have been investigated. From this study we have been able to achieve total regioselectivity for nitration at the 6-position. A very detailed NMR study has been carried out to unequivocally characterise the four nitro isomers. In parallel, a computational study has been performed that is in agreement with the experimental results obtained. With this purpose, all the σ complexes of the four nitro isomers neutral and N-protonated have been optimized both in gas and water condensed phases by using the B3LYP/6-31++G* level of computation. The selective nitration of tetrahydroquinoline was studied. N-Protecting groups presence or absence directs nitration at different positions. Regioselective nitration at 6-position was achieved. A DFT computational study of all nitro σ complexes was performed in gas and water phases, the results are consistent with the experiments. Copyright