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2,2-Difluoro-benzo[1,3]dioxole-5-boronic acid is an organoboron compound characterized by the molecular formula C8H6BFO4. It is composed of boron, fluorine, oxygen, and carbon atoms, and is widely recognized for its role in organic synthesis and medicinal chemistry. 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-BORONIC ACID serves as a versatile building block for the development of pharmaceuticals and agrochemicals, and its boronic acid group significantly enhances its utility in creating biologically active molecules and materials, making it an indispensable tool in chemical research and development.

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  • 190903-71-0 Structure
  • Basic information

    1. Product Name: 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-BORONIC ACID
    2. Synonyms: 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-BORONIC ACID;2,2-difluoro-1,3-benzodioxol-5-yl boronic acid;2,2-Difluoro-1,3-benzodioxole-5-boronic acid;(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)boronic acid;Boronic acid,B-(2,2-difluoro-1,3-benzodioxol-5-yl)-;(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid
    3. CAS NO:190903-71-0
    4. Molecular Formula: C7H5BF2O4
    5. Molecular Weight: 201.9200064
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 190903-71-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 288.0±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.58±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Room temperature.
    8. Solubility: N/A
    9. PKA: 8.25±0.40(Predicted)
    10. CAS DataBase Reference: 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-BORONIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-BORONIC ACID(190903-71-0)
    12. EPA Substance Registry System: 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-BORONIC ACID(190903-71-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36
    3. Safety Statements: 26
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 190903-71-0(Hazardous Substances Data)

190903-71-0 Usage

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
2,2-Difluoro-benzo[1,3]dioxole-5-boronic acid is used as a key building block in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and reactivity allow for the creation of a broad range of biologically active compounds, contributing to the development of new drugs and pesticides.
Used in Coordination Chemistry as a Ligand:
In coordination chemistry, 2,2-Difluoro-benzo[1,3]dioxole-5-boronic acid is utilized as a ligand, enabling the formation of coordination complexes with metal ions. This application is crucial for the study of metal-ligand interactions and the development of new materials with specific properties and functions.
Used in Cross-Coupling Reactions as a Reagent:
2,2-Difluoro-benzo[1,3]dioxole-5-boronic acid also serves as a reagent in cross-coupling reactions, a class of chemical reactions that are fundamental in modern organic synthesis. Its participation in these reactions facilitates the formation of carbon-carbon and carbon-heteroatom bonds, which are essential for constructing complex molecular architectures.
Used in the Creation of Biologically Active Molecules:
The boronic acid group present in 2,2-Difluoro-benzo[1,3]dioxole-5-boronic acid makes it a valuable tool for the synthesis of biologically active molecules. Its ability to form stable complexes with various biological targets allows for the development of compounds with potential applications in medicine, such as drug candidates and diagnostic agents.
Overall, 2,2-Difluoro-benzo[1,3]dioxole-5-boronic acid is a multifaceted chemical compound with diverse applications across various industries, including pharmaceuticals, agrochemicals, materials science, and chemical research. Its unique properties and reactivity make it a valuable asset in the development of innovative solutions and advancements in these fields.

Check Digit Verification of cas no

The CAS Registry Mumber 190903-71-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,0,9,0 and 3 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 190903-71:
(8*1)+(7*9)+(6*0)+(5*9)+(4*0)+(3*3)+(2*7)+(1*1)=140
140 % 10 = 0
So 190903-71-0 is a valid CAS Registry Number.

190903-71-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (2,2-difluoro-1,3-benzodioxol-5-yl)boronic acid

1.2 Other means of identification

Product number -
Other names (2,2-Difluorobenzo[d][1,3]dioxol-5-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:190903-71-0 SDS

190903-71-0Relevant articles and documents

2-(aryl (azacycloalkane-1-yl) methyl) phenol derivatives and uses thereof

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Paragraph 0350-0354, (2021/07/24)

The invention discloses 2-(aryl (azacycloalkane-1-yl) methyl) phenol derivatives and application thereof, and belongs to the technical field of medicines. The invention provides a compound shown in a formula I or pharmaceutically acceptable salt thereof. The series of compounds have good inhibitory activity on the histone demethylase KDM4 family in vitro, the median inhibitory concentration (IC50) of most molecules on KDM4D is less than 500 nM, and the compounds have good inhibitory effect on proliferation of various human tumor cell strains in vitro, so that the series of compounds provide a new effective choice for developing targeted histone demethylase KDM4D drugs and preparing drugs for treating and/or preventing cancers and reproductive system diseases, and have good application prospects.

SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF

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Page/Page column 102-103, (2020/01/24)

The present disclosure relates generally to compounds useful for the treatment and/or enhancement of cognitive function and negative symptoms associated with central nervous system disorders where the circuitry involving fast spiking PV+ interneurons and the production of cortical gamma oscillations is disrupted. The subject disclosure enables the manufacture of medicaments as well as compositions containing same for use in methods of therapy and prophylaxis of cognitive dysfunction and negative symptoms.

SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF

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Page/Page column 44, (2020/01/10)

The present application relates generally to compounds useful for the treatment and/or enhancement of cognitive dysfunction and negative symptoms associated with CNS disorders where the circuitry involving fast spiking PV+ interneurons and the production of cortical gamma oscillations is disrupted. The subject disclosure enables the manufacture of medicaments as well as compositions containing same for use in methods of therapy and prophylaxis of cognitive dysfunction and negative symptoms.

HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF

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Paragraph 00406, (2018/02/28)

Described herein are compounds, including pharmaceutically acceptable salts thereof, methods of making such compounds, pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat, prevent or diagnose blood-based diseases, disorders or conditions.

LEUKOTRIENE B4 INHIBITORS

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Page/Page column 66, (2010/10/03)

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 diseases such as, for example, COPD

LEUKOTRIENE B4 INHIBITORS

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Page/Page column 52, (2009/09/25)

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 diseases such as, for example, COPD

INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION

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Page/Page column 89, (2008/06/13)

There is provided compounds of formula (I), Wherein X1 , R1 , R2 , R3, R4, R5 and R6 have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a member of the MAPEG family is desired and/or required, and particularly in the treatment of inflammation.

Farnesyltransferase inhibitors

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, (2008/06/13)

Substituted imidazoles and thiazoles having the formula are useful for inhibiting farnesyltransferase. Also disclosed are farnesyltransferase-inhibiting compositions and methods of inhibiting farnesyltransferase in a patient.

Pyridone-containing farnesyltransferase inhibitors: Synthesis and biological evaluation

Hasvold, Lisa A.,Wang, Weibo,Gwaltney II, Stephen L.,Rockway, Todd W.,Nelson, Lissa T. J.,Mantei, Robert A.,Fakhoury, Stephen A.,Sullivan, Gerard M.,Li, Qun,Lin, Nan-Horng,Wang, Le,Zhang, Haiying,Cohen, Jerome,Gu, Wen-Zhen,Marsh, Kennan,Bauch, Joy,Rosenberg, Saul,Sham, Hing L.

, p. 4001 - 4005 (2007/10/03)

Farnesyltransferase inhibitors (FTIs) have been developed as potential anti-cancer agents due to their efficacy in blocking malignant growth in a variety of murine models of human tumors. To that end, we have developed a series of pyridone farnesyltransferase inhibitors with potent in vitro and cellular activity. The synthesis, SAR and biological properties of these compounds will be discussed.

Farnesyltransferase inhibitors

-

, (2008/06/13)

Substituted imidazoles and thiazoles having the formula are useful for inhibiting farnesyltransferase. Also disclosed are farnesyltransferase-inhibiting compositions and methods of inhibiting farnesyltransferase in a patient.

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