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Methyl 2-(trifluoromethyl)isonicotinate is a chemical compound that features a trifluoromethyl group. It is classified as an isonicotinic ester and is known for its significant role in the synthesis of pharmaceutical drugs, particularly those with anti-inflammatory and anti-anxiety properties. methyl 2-(trifluoromethyl)isonicotinate is also valuable in organic chemistry for constructing complex chemical structures and shows promise in biochemistry and pharmacology research. However, it is important to handle this substance with caution due to its potential health risks.

588702-68-5

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588702-68-5 Usage

Uses

Used in Pharmaceutical Synthesis:
Methyl 2-(trifluoromethyl)isonicotinate is utilized as a key intermediate in the synthesis of various pharmaceutical drugs, specifically those with anti-inflammatory and anti-anxiety effects. Its presence in these medications contributes to their therapeutic properties, making it an essential component in the development of such treatments.
Used in Organic Chemistry Research:
In the field of organic chemistry, methyl 2-(trifluoromethyl)isonicotinate is employed as a building block for constructing intricate chemical structures. Its unique properties allow for the creation of complex molecules that can be used in further research and development, expanding the possibilities for new chemical compounds and their applications.
Used in Biochemistry and Pharmacology Research:
Methyl 2-(trifluoromethyl)isonicotinate also finds application in biochemistry and pharmacology research, where it is used to study the interactions of various compounds with biological systems. This research can lead to a better understanding of how these compounds can be used in the development of new drugs and therapies, ultimately benefiting the field of medicine.

Check Digit Verification of cas no

The CAS Registry Mumber 588702-68-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,8,8,7,0 and 2 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 588702-68:
(8*5)+(7*8)+(6*8)+(5*7)+(4*0)+(3*2)+(2*6)+(1*8)=205
205 % 10 = 5
So 588702-68-5 is a valid CAS Registry Number.
InChI:InChI=1S/C8H6F3NO2/c1-14-7(13)5-2-3-12-6(4-5)8(9,10)11/h2-4H,1H3

588702-68-5 Well-known Company Product Price

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  • Alfa Aesar

  • (H63273)  Methyl 2-(trifluoromethyl)isonicotinate, 95%   

  • 588702-68-5

  • 250mg

  • 980.0CNY

  • Detail
  • Alfa Aesar

  • (H63273)  Methyl 2-(trifluoromethyl)isonicotinate, 95%   

  • 588702-68-5

  • 1g

  • 2940.0CNY

  • Detail

588702-68-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2-(trifluoromethyl)isonicotinate

1.2 Other means of identification

Product number -
Other names methyl 2-(trifluoromethyl)pyridine-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:588702-68-5 SDS

588702-68-5Relevant academic research and scientific papers

QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS

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Page/Page column 91-92, (2021/08/13)

The disclosure includes compounds of Formula (I) and Formula(A) wherein R1, R2, R3, m, n, k, and L are defined herein. Also disclosed are methods for treating a neoplastic disease, autoimmune disease, or an inflammatory disorder with these compounds.

HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF

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Page/Page column 47, (2020/01/10)

The present disclosure provides a compound of Formula (I) and/or a stereoisomer, a tautomer, a stable isotope, or a pharmaceutically acceptable salt thereof; and therapeutic uses of these compounds. They are kinase inhibitors potentially useful in the tre

Efficient copper-catalyzed trifluoromethylation of aromatic and heteroaromatic iodides: The beneficial anchoring effect of borates

Gonda, Zsombor,Kovacs, Szabolcs,Weber, Csaba,Gati, Tamas,Meszaros, Attila,Kotschy, Andras,Novak, Zoltan

supporting information, p. 4268 - 4271 (2014/09/30)

Efficient copper-catalyzed trifluoromethylation of aromatic iodides was achieved with TMSCF3 in the presence of trimethylborate. The Lewis acid was used to anchor the in situ generated trifluoromethyl anion and suppress its rapid decomposition. Broad applicability of the new trifluoromethylating reaction was demonstrated in the functionalization of different aromatic and heteroaromatic iodides.

PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL ISONICOTINIC ACID AND ESTERS

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, (2014/06/11)

The invention relates to a novel process for the preparation of 2- trifluoromethyl isonicotinic acid and esters of the formula I which involves a palladium catalysed carbonylation or cyanation step wherein R1 is hydrogen or Q1-6-alkyl. The 2-trifluoromethyl isonicotinic acid and esters of the formula I are versatile intermediates for the preparation of active pharmaceutical and agrochemical agents such as for instance TAAR 1 agonists of the formula III.

SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS

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Page/Page column 149, (2014/01/07)

The present invention relates to the pyrazoloquinazolinone and pyrroloquinazolinone derivatives of the general formula (I), as well as pharmaceutical compositions containing them, and their use in the treatment and/or prophylaxis of conditions associated with altered glutamatergic signalling and/or functions, and/or conditions which can be affected by alteration of glutamate level or signalling in mammals, in particular their use in the treatment and/or prophylaxis of acute and chronic neurological and/or psychiatric disorders.

The direct metalation and subsequent functionalization of trifluoromethyl-substituted pyridines and quinolines

Schlosser, Manfred,Marull, Marc

, p. 1569 - 1575 (2007/10/03)

Depending on the choice of the reagent, 2-(trifluoromethyl)-pyridine can be selectively metalated and subsequently carboxylated of otherwise functionalized either at the 3- or at the 6-position. "Optional site selectivity" can also be achieved with 4-(trifluoromethyl)pyridine, which may be deprotonated either at the 2- or at the 3-position. In contrast, 3-(trifluoromethyl)pyridine undergoes nucleophilic addition and ensuing decomposition whatever the base. Depending on the reaction conditions, 2-(trifluoromethyl)quinoline displays reactivity toward lithium reagents at its 3-, 4-, or 8-positions, 3-(trifluoromethyl)quinolines at the 2- or 4-positions, and 4-(trifluoromethyl)quinoline at the 2- or 3-positions. It was therefore possible to prepare four trifluoromethyl-substituted pyridinecarboxylic acids (1, 4, 9, and 10) and six trifluoromethyl-substituted quinolinecarboxylic acids (11, 13, 14, 15, 17, and 18) regioisomerically uncontaminated and in a most straightforward way. ( Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

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