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[2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID, with the chemical formula C8H8BF3N2O3, is a boronic acid compound featuring a pyrimidin-5-yl group connected to a boronic acid moiety. A trifluoroethoxy substituent is attached at the 2-position of the pyrimidine ring, giving this molecule unique properties and reactivity in chemical reactions.

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  • 1401163-85-6 Structure
  • Basic information

    1. Product Name: [2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID
    2. Synonyms: [2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID;2-(2,2,2-Trifluoroethoxy)pyrimidine-5-boronic acid
    3. CAS NO:1401163-85-6
    4. Molecular Formula: C6H6BF3N2O3
    5. Molecular Weight: 221.9296496
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1401163-85-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 348.4±52.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.50±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Refrigerated.
    8. Solubility: N/A
    9. PKA: 5.21±0.18(Predicted)
    10. CAS DataBase Reference: [2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: [2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID(1401163-85-6)
    12. EPA Substance Registry System: [2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID(1401163-85-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1401163-85-6(Hazardous Substances Data)

1401163-85-6 Usage

Uses

Used in Organic and Medicinal Chemistry:
[2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID is used as a building block for the synthesis of various pharmaceuticals and agrochemicals, contributing to the development of new drugs and pesticides.
Used in Material Science:
In the field of material science, [2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID is utilized in the development of novel materials, potentially enhancing properties such as stability, reactivity, or selectivity in various applications.
Used in Catalysis:
This boronic acid compound is also employed in catalysis, particularly in cross-coupling reactions, where it can facilitate the formation of new chemical bonds, leading to the synthesis of complex organic molecules.
Used in Chemical Research and Drug Discovery:
The boronic acid functional group of [2-(2,2,2-TRIFLUOROETHOXY)PYRIMIDIN-5-YL]BORONIC ACID allows for the formation of strong covalent bonds with other molecules, making it a valuable tool in chemical research and drug discovery for exploring new chemical spaces and developing innovative therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 1401163-85-6 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,4,0,1,1,6 and 3 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1401163-85:
(9*1)+(8*4)+(7*0)+(6*1)+(5*1)+(4*6)+(3*3)+(2*8)+(1*5)=106
106 % 10 = 6
So 1401163-85-6 is a valid CAS Registry Number.

1401163-85-6Downstream Products

1401163-85-6Relevant articles and documents

HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE

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Page/Page column 146-147, (2021/06/04)

The present disclosure provides compounds useful for the inhibition of Delta-5 Desaturase ("D5D"). The compounds have a general Formula (I): wherein the variables of Formula (I) are defined herein. This disclosure also provides pharmaceutical compositions comprising the compounds, uses of the compounds, and compositions for treatment of, for example, a metabolic or cardiovascular disorder. Further, the disclosure provides intermediates useful in the synthesis of compounds of Formula (I).

SUBSTITUTED PYRIDAZINONE FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES

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Paragraph 0237; 0238, (2021/11/20)

Substituted pyridazinone compounds, conjugates, and pharmaceutical compositions for use in the treatment of neuromuscular diseases, such as Duchenne Muscular Dystrophy (DMD), are disclosed herein. The disclosed compounds are useful, among other things, in the treating of DMD and modulating inflammatory inhibitors IL-1, IL-6 or TNF-α.

SUBSTITUTED PYRIDAZINONE FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES

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Paragraph 0229; 0230, (2021/11/20)

Substituted pyridazinone compounds, conjugates, and pharmaceutical compositions for use in the treatment of neuromuscular diseases, such as Duchenne Muscular Dystrophy (DMD), are disclosed herein. The disclosed compounds are useful, among other things, in the treating of DMD and modulating inflammatory inhibitors IL-1, IL-6 or TNF-α.

PYRIDAZINONE COMPOUNDS AND USES THEREOF

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Paragraph 0234, (2020/06/01)

Substituted pyridazinone compounds, conjugates, and pharmaceutical compositions for use in the treatment of neuromuscular diseases, such as Duchenne Muscular Dystrophy (DMD), are disclosed herein. The disclosed compounds are useful, among other things, in the treating of DMD and modulating inflammatory inhibitors IL-1, IL-6 or TNF-α.

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