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5-Trifluoromethyl-pyridine-3-boronic acid is a chemical compound characterized by the molecular formula C6H4BF3NO2. It is a boronic acid derivative that features a trifluoromethyl group and a pyridine ring, which endows it with unique chemical properties and reactivity.

947533-51-9

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947533-51-9 Usage

Uses

Used in Organic Synthesis:
5-Trifluoromethyl-pyridine-3-boronic acid is utilized as a building block in the synthesis of pharmaceuticals, agrochemicals, and materials science. Its presence in these compounds is attributed to its ability to form carbon-carbon and carbon-heteroatom bonds, which are crucial for the creation of complex molecular structures.
Used in Medicinal Chemistry and Drug Discovery:
In the field of medicinal chemistry, 5-Trifluoromethyl-pyridine-3-boronic acid is employed as a reagent for the modulation of biological activity in target molecules. Its unique structure allows it to interact with biological systems in ways that can lead to the development of new therapeutic agents.
Used in Suzuki-Miyaura Cross-Coupling Reactions:
5-Trifluoromethyl-pyridine-3-boronic acid is also used as a reagent in Suzuki-Miyaura cross-coupling reactions, a class of palladiumor nickel-catalyzed reactions that are fundamental in the formation of new carbon-carbon bonds. This application is particularly important in the synthesis of complex organic molecules, including those with potential pharmaceutical applications.
Used in Pharmaceutical Industry:
5-Trifluoromethyl-pyridine-3-boronic acid is used as a key intermediate in the development of new drugs within the pharmaceutical industry. Its versatility in forming various types of chemical bonds makes it a valuable component in the synthesis of a wide range of medicinal compounds.
Used in Agrochemical Industry:
In the agrochemical industry, 5-Trifluoromethyl-pyridine-3-boronic acid is used as a precursor in the synthesis of new pesticides and other agrochemicals. Its ability to form stable and reactive bonds contributes to the creation of effective and durable products for agricultural use.
Used in Materials Science:
5-Trifluoromethyl-pyridine-3-boronic acid is also utilized in materials science for the development of new materials with specific properties. Its role in creating carbon-carbon and carbon-heteroatom bonds is essential for the synthesis of advanced materials with applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 947533-51-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,4,7,5,3 and 3 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 947533-51:
(8*9)+(7*4)+(6*7)+(5*5)+(4*3)+(3*3)+(2*5)+(1*1)=199
199 % 10 = 9
So 947533-51-9 is a valid CAS Registry Number.

947533-51-9SDS

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 (5-Trifluoromethylpyridin-3-yl)boronic acid

1.2 Other means of identification

Product number -
Other names [5-(trifluoromethyl)pyridin-3-yl]boronic acid

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:947533-51-9 SDS

947533-51-9Relevant academic research and scientific papers

HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS

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Page/Page column 36-37, (2018/04/21)

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of tuberculosis.

HETEROARYL DERIVATIVES AND USES THEREOF

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Paragraph 0224; 0225, (2014/05/20)

The present invention relates to antimalarial compounds and their use against protozoa of the genus Plasmodium, including drug-resistant Plasmodia strains. This invention further relates to compositions containing such compounds and a process for making the compounds.

Cushing's syndrome: Development of highly potent and selective CYP11B1 inhibitors of the (pyridylmethyl)pyridine type

Emmerich, Juliette,Hu, Qingzhong,Hanke, Nina,Hartmann, Rolf W.

, p. 6022 - 6032 (2013/09/02)

Potent and selective CYP11B1 inhibitors could be promising therapeutics for the treatment of Cushing's syndrome. Optimization of Ref 1 (5-((1H-imidazol-1- yl)methyl)-2-phenylpyridine) led to compound 44 (5-((5-methylpyridin-3-yl) methyl)-2-phenylpyridine) with a 50-fold improved IC50 value of 2 nM toward human CYP11B1 and an enhanced inhibition of the rat enzyme (IC 50 = 2440 nM) compared to Ref 1 (IC50 > 10000 nM). Furthermore, selectivities over CYP11B2, CYP17, and CYP19 were observed, as well as satisfying metabolic stability not only in human and rat plasma but also in liver S9 fraction. Investigation of cytotoxicity and inhibition of hepatic CYP2A6 and CYP3A4 showed that 44 fulfills first safety criteria and can be considered for further in vivo evaluation in rats.

QUINAZOLINE DERIVATIVES AS PI3K MODULATORS

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Page/Page column 50-51, (2013/05/09)

The invention relates to substituted quinazoline derivative of the formula (I), wherein A, X1, X2, X3, X4 and R5 are as defined in the description. Such compounds are suitable for the treatment of a disorder or disease which is mediated by the activity of the PI3K enzymes.

HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY

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Page/Page column 239, (2012/01/15)

Substituted bicyclic heteroaryls and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjoegren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110 activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia ( T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.

Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: Synthesis and Suzuki-Miyaura cross-coupling reactions

Clapham, Kate M.,Batsanov, Andrei S.,Bryce, Martin R.,Tarbit, Brian

experimental part, p. 2155 - 2161 (2009/09/04)

The synthesis of trifluoromethyl-substituted pyridylboronic acids and pyrazolylboronic esters is described via lithiation-boronation protocols (Schemes 1, 3 and 4). A study of their palladium-catalysed cross-couplings with heteroaryl halides is presented.

Organic compounds

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Page/Page column 46, (2009/10/01)

The present invention concerns a compound of formula (I) or a salt, suitably a pharmaceutically acceptable salt, or solvate thereof, wherein the groups R1, R2, Ar′, A and Y are defined in the description, to compositions and use of the compounds in the treatment of inflammatory and allergic conditions.

BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS KINASE INHIBITORS

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Page/Page column 86, (2009/03/07)

Phosphatidylinositol (PI) 3-kinase inhibitor compounds, their pharmaceutically acceptable salts, and prodrugs thereof; compositions of the new compounds, either alone or in combination with at least one additional therapeutic agent, with a pharmaceutically acceptable carrier; and uses of the new compounds, either alone or in combination with at least one additional therapeutic agent, in the prophylaxis or treatment of proliferative diseases characterized by the abnormal activity of growth factors, protein serine/threonine kinases, and phospholipid kinases.

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