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2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF&, a chemical compound with the molecular formula C8H7F3N2S, is a pyridine derivative featuring a trifluoromethanesulfonyl group. 2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF& is recognized for its capacity to modify and functionalize organic molecules, serving as a crucial reagent and intermediate in both organic synthesis and pharmaceutical research. Its trifluoromethanesulfonyl group is a significant functional group in organic chemistry, contributing to the compound's value in the development of innovative drugs and materials. However, due to its potential hazards and toxicological effects, careful handling and usage are imperative.

111770-91-3

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111770-91-3 Usage

Uses

Used in Organic Synthesis:
2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF& is used as a reagent in organic synthesis for its ability to modify organic molecules, facilitating the creation of new compounds with enhanced properties.
Used in Pharmaceutical Research:
In pharmaceutical research, 2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF& is utilized as an intermediate, playing a key role in the development of novel drugs by providing a means to introduce the trifluoromethanesulfonyl group into drug molecules, potentially improving their efficacy and pharmacokinetics.
Used in the Development of New Materials:
2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF& is also employed in the development of new materials, where its trifluoromethanesulfonyl group can impart specific characteristics to the materials, such as increased stability or reactivity.
Used in Chemical Modification:
2-METHYL-5-PYRIDINETRIFLUOROMETHANESULF& is used for the chemical modification of existing molecules to enhance their performance in various applications, taking advantage of the unique properties of the trifluoromethanesulfonyl group.

Check Digit Verification of cas no

The CAS Registry Mumber 111770-91-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,7,7 and 0 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 111770-91:
(8*1)+(7*1)+(6*1)+(5*7)+(4*7)+(3*0)+(2*9)+(1*1)=103
103 % 10 = 3
So 111770-91-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H6F3NO3S/c1-5-2-3-6(4-11-5)14-15(12,13)7(8,9)10/h2-4H,1H3

111770-91-3 Well-known Company Product Price

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  • Aldrich

  • (648485)  2-Methyl-5-pyridinetrifluoromethanesulfonate  97%

  • 111770-91-3

  • 648485-1G

  • 490.23CNY

  • Detail

111770-91-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name (6-methylpyridin-3-yl) trifluoromethanesulfonate

1.2 Other means of identification

Product number -
Other names 2-methyl-5-(trifluoromethylsulfonyloxy)pyridine

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:111770-91-3 SDS

111770-91-3Relevant academic research and scientific papers

Discovery of Potent Orally Active Protease-Activated Receptor 1 (PAR1) Antagonists Based on Andrographolide

Liu, Jun,Sun, Bin,Zhao, Xiaoyu,Xing, Jie,Gao, Yanhui,Chang, Wenqiang,Ji, Jianbo,Zheng, Hongbo,Cui, Changyi,Ji, Aiguo,Lou, Hongxiang

, p. 7166 - 7185 (2017)

Protease-activated receptor-1 (PAR1), a G-protein-coupled receptor, plays a critical role in thrombin-mediated platelet aggregation. It is regarded as a promising antithrombosis target that is unlikely to result in bleeding. Here, we describe the synthesi

A convenient synthesis of the key intermediate of selective COX-2 inhibitor Etoricoxib

Tartaggia, Stefano,Caporale, Andrea,Fontana, Francesco,Stabile, Paolo,Castellin, Andrea,De Lucchi, Ottorino

, p. 18544 - 18549 (2013/10/21)

An original strategy for the synthesis of ketone 1, the key intermediate for preparing Etoricoxib, an important nonsteroidal anti-inflammatory drug, has been developed. Inexpensive 5-hydroxy-2-methylpyridine was converted to the corresponding acetyl derivative in four practical synthetic steps. The following palladium-catalyzed α-arylation of acetylpicoline with 4-bromo- or 4-chlorophenyl methyl sulfone was efficiently optimized in order to afford ketone 1 in remarkable yield.

Discovery of octahydroindenes as PAR1 antagonists

Lee, Sunkyung,Song, Jong-Hwan,Park, Chul Min,Kim, Jin-Seok,Jeong, Ji-Hye,Cho, Woo-Young,Lim, Dong-Chul

supporting information, p. 1054 - 1058 (2013/12/04)

Octahydroindene was identified as a novel scaffold for protease activated receptor 1 (PAR1) antagonists. Herein, the 2-position (C2) was explored for structure-activity relationship (SAR) studies. Compounds 14, 19, and 23b showed IC50 values of 1.3, 8.6, and 2.7 nM in a PAR1 radioligand binding assay, respectively, and their inhibitory activities on platelet activation were comparable to that of vorapaxar in a platelet rich plasma (PRP) aggregation assay. This series of compounds showed high potency and no significant cytotoxicity; however, the compounds were metabolically unstable in both human and rat liver microsomes. Current research efforts are focused on optimizing the compounds to improve metabolic stability and physicochemical properties as well as potency.

Improved process for preparing 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib

-

Page/Page column 7, (2012/09/22)

The present invention relates to a process for preparing 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of the synthesis of Etoricoxib. The synthesis of the intermediates useful for such preparation is also described.

PROCESS FOR PREPARING 1-(6-METHYLPYRIDIN-3-YL)-2-[4-(METHYLSULFONYL)PHENYL]ETHANONE, AN INTERMEDIATE OF ETORICOXIB

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Page/Page column 4, (2012/09/22)

A process for preparing 1-(6-methylpyridin-3-yl)-2-[4-(methyl sulfonyl)phenyl]ethanone, an intermediate of the synthesis of Etoricoxib. The synthesis of the intermediates useful for such preparation is also described.

[6+5] FUSED BICYCLES AS A THROMBIN ANTAGONIST, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE BICYCLES

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Page/Page column 62, (2012/01/14)

The present invention relates to the new [6+5] fused bicycle derivatives, pharmaceutically acceptable salts or isomers thereof, processes for preparing the same, and pharmaceutical compositions comprising the same. The [6+5] fused bicycle derivatives can antagonize the thrombin receptor and thus may be effectively used for the treatment and prevention of thrombus, platelet aggregation, atherosclerosis, restenosis, blood coagulation, hypertension, arrhythmia, angina pectoris, heart failure, inflammation and cancer when used alone or with other cardiovascular agents.

Compositions and methods for modulating a kinase cascade

-

Page/Page column 151, (2009/06/27)

The invention relates to compounds and methods for modulating one or more components of a kinase cascade.

SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION

-

Page/Page column 238, (2008/12/05)

The present invention makes available methods and reagents for modulating proliferation or differentiation in a cell or tissue comprising contacting the cell with a compound. In certain embodiments, the methods and reagents may be employed to correct or inhibit an aberrant or unwanted growth state, e.g., by antagonizing a normal patched pathway or agonizing smoothened or hedgehog activity.

SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION

-

Page/Page column 238-239, (2008/12/05)

The present invention makes available methods and reagents for modulating proliferation or differentiation in a cell or tissue comprising contacting the cell with a compound. In certain embodiments, the methods and reagents may be employed to correct or inhibit an aberrant or unwanted growth state, e.g., by antagonizing a normal patched pathway or agonizing smoothened orhedgehog activity.

SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION

-

Page/Page column 238, (2008/12/05)

The present invention makes available methods and reagents for modulating proliferation or differentiation in a cell or tissue comprising contacting the cell with a compound. In certain embodiments, the methods and reagents may be employed to correct or inhibit an aberrant or unwanted growth state, e.g., by antagonizing a normal patched pathway or agonizing smoothened orhedgehog activity.

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