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2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER is a synthetic chemical compound that is a boronic acid derivative featuring a pinacol ester group and a trifluoromethyl substituent on the pyridine ring. It is widely recognized for its applications in organic chemistry, particularly as a reagent in the Suzuki-Miyaura cross-coupling reaction, which is instrumental in the formation of carbon-carbon bonds. Its unique structure and reactivity also make it a valuable building block for the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals, as well as a tool for developing new chemical reactions and methodologies in organic synthesis.

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  • 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)PYRIDINE

    Cas No: 1036990-42-7

  • USD $ 1.9-2.9 / Gram

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  • 1036990-42-7 Structure
  • Basic information

    1. Product Name: 2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER
    2. Synonyms: 2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER;4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)PYRIDINE;PYRIDINE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-;2-(trifluoroMethyl)-4-(4;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine, 4,4,5,5-Tetramethyl-2-[2-(trifluoromethyl)pyridin-4-yl]-1,3,2-dioxaborolane;2-(trifluoromethyl)pyridin-4-ylboronic acid pinacol ester;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-(trifluoromethyl)pyridin-4-yl)boronate;2-Trifluoromethyl-4-pyridineboronic acid pinacol ester
    3. CAS NO:1036990-42-7
    4. Molecular Formula: C12H15BF3NO2
    5. Molecular Weight: 291.0744896
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1036990-42-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 349.277 °C at 760 mmHg
    3. Flash Point: 165.037 °C
    4. Appearance: /
    5. Density: 1.18
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: N/A
    9. PKA: -0.29±0.22(Predicted)
    10. CAS DataBase Reference: 2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER(1036990-42-7)
    12. EPA Substance Registry System: 2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER(1036990-42-7)
  • Safety Data

    1. Hazard Codes: T
    2. Statements: 25
    3. Safety Statements: 45
    4. RIDADR: UN2811
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 1036990-42-7(Hazardous Substances Data)

1036990-42-7 Usage

Uses

Used in Organic Synthesis:
2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER is used as a reagent in the Suzuki-Miyaura cross-coupling reaction for the formation of carbon-carbon bonds, which is crucial in the synthesis of complex organic molecules.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, 2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER is used as a building block for the synthesis of various pharmaceuticals, contributing to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Synthesis:
Similarly, in agrochemicals, 2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER is utilized as a building block for the creation of compounds that can be used in the development of pesticides and other agricultural chemicals to improve crop protection and yield.
Used in Fine Chemicals Synthesis:
2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER is also used in the synthesis of fine chemicals, which are high-purity chemicals used in various applications such as fragrances, flavors, and other specialty chemical markets.
Used in Methodology Development:
In the field of organic synthesis, 2-(TRIFLUOROMETHYL)PYRIDINE-4-BORONIC ACID PINACOL ESTER is used as a tool for the development of new chemical reactions and methodologies, expanding the scope of synthetic chemistry and enabling the creation of novel compounds with unique properties.

Check Digit Verification of cas no

The CAS Registry Mumber 1036990-42-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,3,6,9,9 and 0 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1036990-42:
(9*1)+(8*0)+(7*3)+(6*6)+(5*9)+(4*9)+(3*0)+(2*4)+(1*2)=157
157 % 10 = 7
So 1036990-42-7 is a valid CAS Registry Number.

1036990-42-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine

1.2 Other means of identification

Product number -
Other names 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)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:1036990-42-7 SDS

1036990-42-7Relevant articles and documents

NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION

-

Page/Page column 109; 122-123, (2021/06/04)

The present invention relates to compounds for the treatment of diseases related to DUX4 expression, such as muscular dystrophies. It also relates to use of such compounds, or to methods of use of such compounds.

HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS

-

, (2020/07/16)

The present disclosure relates generally to compounds useful in treatment of conditions associated with mutant isocitrate dehydrogenase (mt-IDH), particularly mutant IDH1 enzymes. Specifically, the present invention discloses compound of formula (IA), which exhibits inhibitory activity against mutant IDH1 enzymes. Method of treating conditions associated with excessive activity of mutant IDH1 enzymes with such compound is disclosed. Uses thereof, pharmaceutical composition, and kits are also disclosed.

HERBICIDAL PYRIDINIUM COMPOUNDS

-

Page/Page column 77-78, (2020/08/22)

Compounds of the formula (I) wherein the substituents are as defined in claim 1, useful as a pesticides, especially as herbicides.

HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS

-

Page/Page column 103, (2016/05/19)

The present invention is directed to heterocyclic compounds which are antagonists of CGRP receptors and may be useful in the treatment or prevention of diseases in which CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

Iridium-catalyzed C-H borylation of pyridines

Sadler, Scott A.,Tajuddin, Hazmi,Mkhalid, Ibraheem A. I.,Batsanov, Andrei S.,Albesa-Jove, David,Cheung, Man Sing,Maxwell, Aoife C.,Shukla, Lena,Roberts, Bryan,Blakemore, David C.,Lin, Zhenyang,Marder, Todd B.,Steel, Patrick G.

supporting information, p. 7318 - 7327 (2014/11/07)

The iridium-catalysed C-H borylation is a valuable and attractive method for the preparation of aryl and heteroaryl boronates. However, application of this methodology for the preparation of pyridyl and related azinyl boronates can be challenged by low reactivity and propensity for rapid protodeborylation, particularly for a boronate ester ortho to the azinyl nitrogen. Competition experiments have revealed that the low reactivity is due to inhibition of the active catalyst through coordination of the azinyl nitrogen lone pair at the vacant site on the iridium. This effect can be overcome through the incorporation of a substituent at C-2. Moreover, when this is sufficiently electron-withdrawing protodeborylation is sufficiently slowed to permit isolation and purification of the C-6 boronate ester. Following functionalization, reduction of the directing C-2 substituent provides the product arising from formal ortho borylation of an unhindered pyridine ring. This journal is the Partner Organisations 2014.

Practical and innate carbon-hydrogen functionalization of heterocycles

Fujiwara, Yuta,Dixon, Janice A.,O'Hara, Fionn,Funder, Erik Daa,Dixon, Darryl D.,Rodriguez, Rodrigo A.,Baxter, Ryan D.,Herle, Bart,Sach, Neal,Collins, Michael R.,Ishihara, Yoshihiro,Baran, Phil S.

, p. 95 - 99 (2013/02/23)

Nitrogen-rich heterocyclic compounds have had a profound effect on human health because these chemical motifs are found in a large number of drugs used to combat a broad range of diseases and pathophysiological conditions. Advances in transition-metal-med

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