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4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane is a boronic ester chemical compound with the molecular formula C13H19BNO4. It is composed of boron, carbon, hydrogen, nitrogen, and oxygen atoms. 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane is known for its unique structure and reactivity, making it a valuable building block in organic synthesis and pharmaceutical research.

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  • 957062-84-9 Structure
  • Basic information

    1. Product Name: 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane
    2. Synonyms: 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 2-methyl-5-nitrophenylboronate;2-(2-Methyl-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)toluene
    3. CAS NO:957062-84-9
    4. Molecular Formula: C13H18BNO4
    5. Molecular Weight: 263.1
    6. EINECS: N/A
    7. Product Categories: blocks;BoronicAcids;NitroCompounds
    8. Mol File: 957062-84-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 378.9 °C at 760 mmHg
    3. Flash Point: 182.9 °C
    4. Appearance: /
    5. Density: 1.13 g/cm3
    6. Vapor Pressure: 1.33E-05mmHg at 25°C
    7. Refractive Index: 1.514
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane(957062-84-9)
    12. EPA Substance Registry System: 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane(957062-84-9)
  • 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: 957062-84-9(Hazardous Substances Data)

957062-84-9 Usage

Uses

Used in Organic Synthesis:
4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane is used as a versatile building block in organic synthesis for the creation of complex molecules. Its unique structure and reactivity contribute to the development of new materials and chemical processes.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane is utilized as a ligand in metal-catalyzed cross-coupling reactions. This application is crucial in the production of pharmaceuticals and agrochemicals, where its properties enhance the synthesis of target compounds.
Used in the Development of New Materials:
Due to its unique structure and reactivity, 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane is a valuable tool in the development of new materials. Its properties can be harnessed to create innovative materials with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 957062-84-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,5,7,0,6 and 2 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 957062-84:
(8*9)+(7*5)+(6*7)+(5*0)+(4*6)+(3*2)+(2*8)+(1*4)=199
199 % 10 = 9
So 957062-84-9 is a valid CAS Registry Number.
InChI:InChI=1/C13H18BNO4/c1-9-6-7-10(15(16)17)8-11(9)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3

957062-84-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Methyl-5-nitrophenylboronic Acid Pinacol Ester

1.2 Other means of identification

Product number -
Other names 4,4,5,5-Tetramethyl-2-(2-methyl-5-nitrophenyl)-1,3,2-dioxaborolane

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:957062-84-9 SDS

957062-84-9Relevant articles and documents

COUMARIN-LIKE CYCLIC COMPOUND AS MEK INHIBITOR AND USE THEREOF

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Paragraph 0133-0135, (2020/05/30)

Disclosed are a class of coumarin-like cyclic compounds as MEK inhibitors and pharmaceutical compositions comprising the compounds, and the use of same in the preparation of a drug for treating MEK-related diseases. Particularly disclosed are compounds as shown in formula (I) and pharmaceutically acceptable salts thereof or tautomers thereof.

Synthesis of Amino- and Hydroxymethyl Benzoxaboroles: Prominent Scaffolds for Further Functionalization

Fuscaldo, Rodrigo S.,Vontobel, Pedro H. V.,Boeira, Eduam O.,Moro, Angélica V.,Costa, Jessie S. da

, p. 2050 - 2055 (2019/03/07)

Herein, we describe the development of a short, simple, and efficient synthesis of amino- and hydroxymethyl-substituted benzoxaboroles. The key step in our strategy was the early stage incorporation of the boron by the borylation of an aniline. The formed boronates were then elaborated to the final products in two additional steps, usually in good yields. The synthetic sequence was amenable to be performed on a preparative scale and 4-amino benzoxaborole 4b and 6-hydroxymethyl benzoxaborole 10c have been prepared, without any significant decrease in the overall yield. The amino and hydroxymethyl present at the molecules are useful for further elaboration and/or conjugation to bioactive molecules and therefore we believe that this method should be useful in the development of new compounds for Medicinal Chemistry.

4-SUBSTITUTED-(3-SUBSTITUTED-1H-PYRAZOLE-5-AMINO)-PYRIMIDINE DERIVATIVES HAVING ACTIVITY OF INHIBITING PROTEIN KINASE AND USE THEREOF

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Paragraph 0118-0120, (2014/07/23)

Provided are derivatives substituted by urea associated with 4-substituted-(3-substituted-1H-pyrazole-5-amino)-pyrimidine-2-amino of formula (I), wherein these compounds may selectively regulate or inhibit an information transmission process controlled by

4-SUBSTITUTED-(3-SUBSTITUTED-1H-PYRAZOLE-5-AMINO)-PYRIMIDINE DERIVATIVES HAVING ACTIVITY OF INHIBITING PROTEIN KINASE AND USE THEREOF

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Paragraph 0294; 0295; 0296, (2015/01/07)

Provided are derivatives substituted by urea associated with 4-substituted-(3-substituted-1H-pyrazole-5-amino)-pyrimidine-2-amino of formula (I), wherein these compounds may selectively regulate or inhibit an information transmission process controlled by

Sandmeyer-type reaction to pinacol arylboronates in water phase: A green borylation process

Zhang, Jie,Wang, Xiaolong,Yu, Haitao,Ye, Jiahai

experimental part, p. 1394 - 1396 (2012/06/30)

Copper(I)-catalyzed cross-coupling reactions of aryl diazonium salts with bis(pinacolato)diboron can proceed smoothly in the water phase at room temperature to give the corresponding arylboronate esters in good to high yields. The Sandmeyer-type borylation not only provides direct access to arylboronates bearing halo and acidic substituents, but also achieves a green borylation process. Georg Thieme Verlag Stuttgart · New York.

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