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METHYL 3-FLUOROISONICOTINATE, with the molecular formula C7H6FNO2, is a chemical compound derived from isonicotinic acid. It features a methyl group and a fluorine atom, which contribute to its unique properties and make it a versatile building block in organic chemistry. Its potential applications in various fields have made it a significant target for research and development in chemical synthesis.

876919-08-3

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876919-08-3 Usage

Uses

Used in Pharmaceutical Synthesis:
METHYL 3-FLUOROISONICOTINATE is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique functional groups and properties allow for the development of new drugs with improved therapeutic effects and reduced side effects.
Used in Agrochemical Synthesis:
METHYL 3-FLUOROISONICOTINATE is also utilized as a building block in the creation of agrochemicals. Its incorporation into these compounds can enhance their effectiveness in pest control and crop protection, contributing to increased agricultural productivity and sustainability.
Used in Organic Chemistry Research:
Due to its versatile nature and potential applications, METHYL 3-FLUOROISONICOTINATE is an important target for research in the field of organic chemistry. Scientists and chemists explore its reactivity, synthesis methods, and potential use in the development of new compounds and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 876919-08-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,6,9,1 and 9 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 876919-08:
(8*8)+(7*7)+(6*6)+(5*9)+(4*1)+(3*9)+(2*0)+(1*8)=233
233 % 10 = 3
So 876919-08-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H6FNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3

876919-08-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-fluoropyridine-4-carboxylate

1.2 Other means of identification

Product number -
Other names QC-4740

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:876919-08-3 SDS

876919-08-3Relevant academic research and scientific papers

A simple synthetic route to methyl 3-fluoropyridine-4-carboxylate by nucleophilic aromatic substitution

Tjosaas, Freddy,Fiksdahl, Anne

, p. 130 - 133 (2006)

The nitro group of methyl 3-nitropyridine-4-carboxylate (1) has successfully been replaced by fluoride anion via nucleophilic aromatic substitution to give the 3-fluoropyridine-4-carboxylate 2.

HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING)

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Page/Page column 163-164, (2021/06/22)

The present invention relates to compounds of formula (I) and salts, stereoisomers, tautomers or N-oxides thereof that are useful as modulators of STING (Stimulator of Interferon Genes). The present invention further relates to the compounds of formula (I) for use as a medicament and to a pharmaceutical composition comprising said compounds.

FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING)

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Page/Page column 200, (2021/06/22)

The present invention relates to compound-linker constructs and antibody-drug-conjugates of compounds of formula (I) that are useful as modulators of STING (Stimulator of Interferon Genes).

Preparation method of 2-trifluoromethyl-3-fluoro-4-picolinic acid and derivatives thereof

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Paragraph 0043-0047, (2020/04/17)

The invention discloses a preparation method of 2-trifluoromethyl-3-fluoro-4-picolinic acid and derivatives thereof, and is characterized in that provided is the preparation method of 2-trifluoromethyl-3-fluoro-4-picolinic acid and the derivatives thereof by a method of introducing trifluoromethyl into 2-site of a polysubstituted pyridine ring through a free radical mechanism, wherein the preparation method is suitable for large-scale application. The method for directly carrying out trifluoromethylation reaction on the 2-site of 3-fluoro-4-pyridine carboxylic acid alkyl ester is reported forthe first time, and is simple and convenient in process, easily available in raw materials, high in conversion rate and simple in reaction post-treatment operation. Meanwhile, the selectivity of the method in introducing trifluoromethyl into the 2-site of pyridine is quite high, and a single product with trifluoromethyl substituted at the 2-site can be obtained only through simple recrystallization.

Spin-Center Shift-Enabled Direct Enantioselective α-Benzylation of Aldehydes with Alcohols

Nacsa, Eric D.,MacMillan, David W. C.

supporting information, p. 3322 - 3330 (2018/03/13)

Nature routinely engages alcohols as leaving groups, as DNA biosynthesis relies on the removal of water from ribonucleoside diphosphates by a radical-mediated "spin-center shift" (SCS) mechanism. Alcohols, however, remain underused as alkylating agents in synthetic chemistry due to their low reactivity in two-electron pathways. We report herein an enantioselective α-benzylation of aldehydes using alcohols as alkylating agents based on the mechanistic principle of spin-center shift. This strategy harnesses the dual activation modes of photoredox and organocatalysis, engaging the alcohol by SCS and capturing the resulting benzylic radical with a catalytically generated enamine. Mechanistic studies provide evidence for SCS as a key elementary step, identify the origins of competing reactions, and enable improvements in chemoselectivity by rational photocatalyst design.

TREATMENT OF DISEASES BY EPIGENETIC REGULATION

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Paragraph 0313-0314, (2013/11/05)

The present disclosure provides non-naturally occurring polyphenol compounds that inhibit the bromodomain and extra terminal domain (BET) proteins. The disclosed compositions and methods can be used for treatment and prevention of cancer as well as sepsis

PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES

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Page/Page column 51-52, (2008/06/13)

The present invention relates to polyphenol-like compounds that are useful for inhibiting VCAM-1 expression, MCP-1 expression and/or SMC proliferation in a mammal. The disclosed compounds are useful for regulating markers of inflammatory conditions, including vascular inflammation, and for treatment and prevention of inflammatory and cardiovascular diseases and related disease states.

PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS

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Page/Page column 67, (2008/06/13)

The invention relates to compounds of Formula (I) or pharmaceutically acceptable salts or solvates thereof: wherein Ar1, Ar2, A, X, Y, m, n and R1 to R5 are described in the specification.

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