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3-Bromoisonicotinic acid methyl ester, with the molecular formula C7H6BrNO2, is a chemical compound derived from isonicotinic acid. It is a versatile building block in organic synthesis, particularly for the production of pharmaceuticals and agrochemicals. Known for its potential as an anti-inflammatory and anti-cancer agent, it also exhibits activity against certain bacteria and fungi. The methyl ester form and bromine substituent of 3-BROMOISONICOTINIC ACID METHYL ESTER contribute to its unique properties, making it a valuable asset in medicinal and agricultural chemistry.

59786-31-1

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59786-31-1 Usage

Uses

Used in Pharmaceutical Industry:
3-Bromoisonicotinic acid methyl ester is used as a building block for the synthesis of various pharmaceuticals due to its unique properties and potential as an anti-inflammatory and anti-cancer agent. Its ability to modulate biological activities makes it a promising candidate for the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical industry, 3-Bromoisonicotinic acid methyl ester is utilized as a precursor for the production of agrochemicals. Its activity against certain bacterial and fungal strains makes it a valuable component in the development of pesticides and fungicides.
Used in Organic Synthesis:
3-Bromoisonicotinic acid methyl ester is used as a versatile reagent in organic synthesis. Its bromine substituent and methyl ester form allow for a wide range of chemical reactions, enabling the creation of new compounds with specific biological activities.
Used in Medicinal Chemistry Research:
3-Bromoisonicotinic acid methyl ester is employed in medicinal chemistry research for the exploration of its potential as an anti-inflammatory and anti-cancer agent. Its unique properties and ability to modulate biological activities make it an important compound for studying the development of novel therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 59786-31-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,7,8 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 59786-31:
(7*5)+(6*9)+(5*7)+(4*8)+(3*6)+(2*3)+(1*1)=181
181 % 10 = 1
So 59786-31-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H6BrNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3

59786-31-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 3-bromoisonicotinate

1.2 Other means of identification

Product number -
Other names methyl 3-bromopyridine-4-carboxylate

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:59786-31-1 SDS

59786-31-1Relevant academic research and scientific papers

HEPATITIS B CORE PROTEIN MODULATORS

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Page/Page column 83, (2018/04/13)

The present disclosure provides, in part, compounds having allosteric effector properties against Hepatitis B virus Cp. Also provided herein are methods of treating viral infections, such as hepatitis B, comprising administering to a patient in need thereof a disclosed compound of formula:

C2-Alkenylation of N-heteroaromatic compounds: Via Br?nsted acid catalysis

Crisenza, Giacomo E. M.,Dauncey, Elizabeth M.,Bower, John F.

, p. 5820 - 5825 (2016/07/06)

Substituted heteroaromatic compounds, especially those based on pyridine, hold a privileged position within drug discovery and medicinal chemistry. However, functionalisation of the C2 position of 6-membered heteroarenes is challenging because of (a) the difficulties of installing a halogen at this site and (b) the instability of C2 heteroaryl-metal reagents. Here we show that C2-alkenylated heteroaromatics can be accessed by simple Br?nsted acid catalysed union of diverse heteroarene N-oxides with alkenes. The approach is notable because (a) it is operationally simple, (b) the Br?nsted acid catalyst is cheap, non-toxic and sustainable, (c) the N-oxide activator disappears during the reaction, and (d) water is the sole stoichiometric byproduct of the process. The new protocol offers orthogonal functional group tolerance to metal-catalysed methods and can be integrated easily into synthetic sequences to provide polyfunctionalised targets. In broader terms, this study demonstrates how classical organic reactivity can still be used to provide solutions to contemporary synthetic challenges that might otherwise be approached using transition metal catalysis.

Palladium NNC Pincer Complex as an Efficient Catalyst for the Cycloisomerization of Alkynoic Acids

Conde, Nerea,SanMartin, Raul,Herrero, María Teresa,Domínguez, Esther

supporting information, p. 3283 - 3292 (2016/10/21)

A two-step (nucleophilic substitution/palladation by oxidative addition) sequence provides a high-yielding access to a non-symmetrical palladium NNC pincer complex. A number of terminal and internal alkynoic acids with different substitution patterns at the α- and β-positions are regio- and diastereoselectively cycloisomerized to the corresponding exocyclic enol lactones in the presence of exceedingly low amounts of the latter palladium complex, so that unprecedented turnover numbers and frequencies ranging from 1,000,000 to 700,000 and from 41,667 to 9722 h?1, respectively, are achieved. The optimized protocol, based on the use of a catalytic amount of triethylamine as base, allows an easy real-time monitoring of the reaction by NMR spectroscopy. Several pieces of evidence in favor of the direct participation of the above pincer complex as the catalyst of the reaction have been gathered from kinetic and poisoning experiments. (Figure presented.).

Supramolecular control of selectivity in hydroformylation of vinyl arenes: Easy access to valuable β-aldehyde intermediates

Dydio, Pawel,Reek, Joost N. H.

supporting information, p. 3878 - 3882 (2013/05/09)

Go against the flow! A rationally designed regioselective hydroformylation catalyst, [Rh/L], in which noncovalent ligand-substrate interactions allow the unprecedented reversal of selectivity from the typical α-aldehyde to the otherwise unfavored product β-aldehyde, is reported. This catalytic system opens up novel and sustainable synthetic pathways to important intermediates for the fine-chemicals industry.

1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS

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Page/Page column 23-24, (2011/10/10)

The invention relates to compounds of formula I: where X, HAr, a, and R1 through R6 are as defined in the specification, or a pharmaceutically acceptable salt thereof. The compounds of formula I are serotonin and norepinephrine reuptake inhibitors. The invention also relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

Spirocyclobutyl Piperidine Derivatives

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Page/Page column 58, (2010/06/14)

Disclosed herein is at least one spirocyclobutyl piperidine derivative, at least one pharmaceutical composition comprising at least one spirocyclobutyl piperidine derivative disclosed herein, and at least one method of using at least one spirocyclobutyl piperidine derivative disclosed herein for treating at least one histamine H3 receptor associated condition therewith.

PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME

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Page/Page column 56-57; 129, (2010/10/20)

The present invention is to provide a piperidine compound represented by the formula [I]: wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted benzene ring, R1 is hydrogen atom or a substituent for amino group, R2 is hydrogen atom, an optionally substituted hydroxyl group, an optionally substituted amino group, an optionally substituted alkyl group, a substituted carbonyl group or a halogen atom, Z is oxygen atom or -N(R3)-, R3 is hydrogen atom or an optionally substituted alkyl group, R4a and R4b may be the same or different, and each is hydrogen atom or an optionally substituted alkyl group, or a pharmaceutically acceptable salt thereof, which has an excellent tachykinin receptor antagonistic action.

PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME

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Page/Page column 70; 130, (2008/06/13)

The present invention is to provide a piperidine compound represented by the formula [I]: wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted benzene ring, R1 is hydrogen atom or a substituent for amino

Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof

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Page/Page column 12, (2010/02/11)

The invention concerns compounds of general formula 1, wherein: A, B, D and E represent one or two nitrogen atoms, the others being carbon atoms; X represents a S or, a O, thereby forming a bicyclic fused heteroaromatic, such as thieno[2,3-b]pyridine, furo[2,3-b]pyridine, thieno[3,2-b]pyridine, furo[3,2-b]pyridine, thieno[2,3-b]pyrazine, furo[2,3-b]pyrazine, thieno[2,3-c]pyridine, furo[2,3-c]pyridine, thieno[3,2-c]pyridine and furo[3,2-c]pyridine; R1 represents a linear or branched C1-C6 alkoxy group, a linear or branched C1-C6 alkylthio group; R2 represents a linear, branched, cyclic C2-C8 group, a 2- or 3- thienylmethyl group, or a benzyl group optionally substituted by one or several halogens, F, Cl, Br, I, C1-C4 alkyl, C1-C4 alkoxy, CF3, CN, NO2, OH; and their pharmaceutically acceptable salts. Said compounds are anti-dopaminergic agents.

INHIBITORS OF PRENYL-PROTEIN TRANSFERASE

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Page column 50, (2010/01/21)

The present invention comprises piperazine/piperazinone-containing compounds having multicyclic ring system substituents on one of the piperazine/piperazinone nitrogens, which inhibit prenyl-protein transferases, including farnesyl-protein transferase and geranylgeranyl-protein transferase type I. Such therapeutic compounds are useful in the treatment of cancer

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