697762-59-7

Basic information

• Product Name: "Benzenepropanoic acid, 2,4-difluoro-a
• Synonyms: "Benzenepropanoic acid, 2,4-difluoro-a;Benzenepropanoic acid, 2,4-difluoro-a-[[[(1S)-1-(hydroxyMethyl)-2-Methylpropyl]aMino]Methylene]-5-iodo-b-oxo-, ethyl ester
• CAS NO: 697762-59-7
• Molecular Formula: C₁₇H₂₀F₂INO₄
• Molecular Weight: 467.25
• EINECS: -0
• Mol File: 697762-59-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 525.6±50.0 °C(Predicted)
• Appearance: /
• Density: 1.537±0.06 g/cm3(Predicted)
• PKA: 14.44±0.10(Predicted)
• CAS DataBase Reference: "Benzenepropanoic acid, 2,4-difluoro-a(CAS DataBase Reference)
• NIST Chemistry Reference: "Benzenepropanoic acid, 2,4-difluoro-a(697762-59-7)
• EPA Substance Registry System: "Benzenepropanoic acid, 2,4-difluoro-a(697762-59-7)

Safety Data

• Hazardous Substances Data: 697762-59-7(Hazardous Substances Data)

Usage

Description

Benzenepropanoic acid, 2,4-difluoro-a is a chemical compound that features a benzene ring with a propanoic acid substituent and two fluorine atoms at the 2 and 4 positions. It is known for its unique structure and reactivity, which makes it a valuable building block in the pharmaceutical industry, particularly for drugs targeting the central nervous system.

Uses

Used in Pharmaceutical Industry:
Benzenepropanoic acid, 2,4-difluoro-a is used as a building block for developing various drugs, especially those that target the central nervous system. The presence of fluorine atoms enhances the compound's bioavailability and metabolic stability, contributing to improved drug efficacy and safety.
Used in Agrochemicals Synthesis:
Due to its unique structure and reactivity, Benzenepropanoic acid, 2,4-difluoro-a has potential applications in the synthesis of agrochemicals, where it can contribute to the development of more effective and targeted products for agricultural use.
Used in Specialty Chemicals Synthesis:
Benzenepropanoic acid, 2,4-difluoro-a also has potential uses in the synthesis of specialty chemicals, where its distinct properties can be leveraged to create innovative and high-performance products across various industries.
It is important to handle and use Benzenepropanoic acid, 2,4-difluoro-a with proper safety precautions to prevent potential hazards, as with all chemical compounds.

Upstream product

• 924-99-2 ethyl 3-(dimethylamino)acrylate 
• 412319-88-1 ethyl-3,3-dimethylaminoacrylate 
• 2026-48-4 (S)-valinol 
• 161531-51-7 2,4-difluoro-5-iodobenzoic acid 
• 1583-58-0 2,4-difluoro-benzoic acid 
• 697762-39-3 ethyl 2-(2,4-difluoro-5-iodobenzoyl)-3-(dimethylamino)acrylate 

Downstream Products

• 697761-98-1 elvitegravir 
• 869893-92-5 6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-((S)-1-hydroxymethyl-2-methylprop-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 870294-02-3 1-((2S)-1-tert-butyldimethylsilyloxy-3-methylbutan-2-yl)-7-fluoro-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 
• 697762-66-6 6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-[1-(S)-tert-butyldimethylsilyloxymethyl-2-methylprop-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 
• 1261283-91-3 6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-[2-methyl-1-(tetrahydropyran-2-yloxymethyl)prop-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 
• 1261283-94-6 6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-((S)-1-hydroxymethyl-2-methylprop-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid dicyclohexylamine salt 
• 1261283-95-7 1(S)-[1-(tert-butyldimethylsilanyloxymethyl)-2-methylprop-1-yl]-6-(3-chloro-2-fluorobenzyl)-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 1261283-97-9 6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-[2-methyl-1-(tetrahydropyran-2-yloxymethyl)prop-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 1261283-99-1 1-(S)-[1-(tert-butyldimethylsilanyloxymethyl)-2-methylprop-1-yl]-6-(3-chloro-2-fluorobenzyl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 1261284-01-8 6-(3-chloro-2-fluorobenzyl)-7-methoxy-1-[1-(S)-2-methyl-1-(tetrahydropyran-2-yloxymethyl)prop-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 
• 697762-63-3 C₂₄H₂₄ClF₂NO₄ 
• 697762-62-2 (S)-ethyl 6-(3-chloro-2-fluorobenzyl)-7-fluoro-1-(1-(methoxycarbonyloxy)-3-methylbutan-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylate 
• 697762-60-0 7-fluoro-1-(1(S)-hydroxymethyl-2-methylprop-1-yl)-6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester 

Relevant articles and documents

AN IMPROVED PROCESS FOR THE PREPARATION OF ELVITEGRAVIR

The present invention relates to improved process for the preparation of elvitegravir (12), wherein the compound of formula (6) is protected with suitable protecting agents and further reacted with formula (9) in the presence of tetrakis(triphenylphosphin

NOVEL 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR

Provision of a compound having an anti-HIV activity, particularly an integrase inhibitory activity.A 4-oxoquinoline compound represented by the following formula [I] or a pharmaceutically acceptable salt thereof: wherein each symbol is as defined in the specification.The present invention also relates to a pharmaceutical composition containing the 4-oxoquinoline compound or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier; an integrase inhibitor, an antiviral agent, anti-HIV agent and the like, which contains the 4-oxoquinoline compound or a pharmaceutically acceptable salt thereof as an active ingredient; an anti-HIV composition containing the 4-oxoquinoline compound or a pharmaceutically acceptable salt thereof, and one or more other kinds of anti-HIV activity substances as active ingredients; an anti-HIV agent containing the 4-oxoquinoline compound or a pharmaceutically acceptable salt thereof as an active ingredient, which is used for a multiple drug therapy with other anti-HIV agent(s), and the like.

4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS

An anti-HIV agent containing, as an active ingredient, a 4-oxoquinoline compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof. The compound of the present invention has HIV integrase inhibitory action and is useful as an anti-HIV agent for the prophylaxis or therapy of AIDS. Moreover, by a combined use with other anti-HIV agents such as protease inhibitors, reverse transcriptase inhibitors and the like, the compound can become a more effective anti-HIV agent. Since the compound has high inhibitory activity specific for integrases, it can provide a safe pharmaceutical agent with a fewer side effects for human.