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2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER is a boron-based chemical compound that serves as an organic intermediate in the synthesis of pharmaceuticals and agrochemicals. It is known for its unique structure and reactivity, making it a valuable building block in the creation of complex organic molecules.

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  • 863868-32-0 Structure
  • Basic information

    1. Product Name: 2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER
    2. Synonyms: 2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER;4-Methyl-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
    3. CAS NO:863868-32-0
    4. Molecular Formula: C14H18BNO2
    5. Molecular Weight: 243.11
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 863868-32-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Room temperature.
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER(863868-32-0)
    11. EPA Substance Registry System: 2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER(863868-32-0)
  • 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: 863868-32-0(Hazardous Substances Data)

863868-32-0 Usage

Uses

Used in Pharmaceutical Industry:
2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER is used as a key intermediate for the synthesis of various pharmaceutical compounds. Its reactivity in Suzuki-Miyaura cross-coupling reactions allows for the formation of carbon-carbon bonds, facilitating the development of new and innovative drugs.
Used in Agrochemical Industry:
In the agrochemical field, 2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER is utilized as an essential component in the production of agrochemicals. Its role in creating carbon-carbon bonds through Suzuki-Miyaura cross-coupling reactions contributes to the synthesis of effective and targeted agrochemical products.
Used in Research and Development:
2-METHYL-5-CYANOPHENYL BORONIC ACID PINACOL ESTER is used as a research tool by organic chemists for the development of new molecules and compounds. Its unique properties and reactivity make it an indispensable component in the exploration of novel chemical reactions and the creation of advanced materials in various fields, including medicine, agriculture, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 863868-32-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,3,8,6 and 8 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 863868-32:
(8*8)+(7*6)+(6*3)+(5*8)+(4*6)+(3*8)+(2*3)+(1*2)=220
220 % 10 = 0
So 863868-32-0 is a valid CAS Registry Number.

863868-32-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

1.2 Other means of identification

Product number -
Other names 2-Methyl-5-cyanophenyl boronic acid pinacol ester

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:863868-32-0 SDS

863868-32-0Relevant articles and documents

COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES

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Paragraph 0097-0098, (2013/05/21)

The invention relates to certain compounds or pharmaceutically acceptable salts, solvates, clathrates, or prodrugs thereof, that are useful as immunosuppressive agents and for treating and preventing inflammatory conditions, allergic disorders, and immune disorders

POSITIVE ALLOSTERIC MODULATORS OF MGLUR2

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Page/Page column 59, (2012/01/05)

The present invention is directed to 5-substituted 1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-one derivatives which are positive allosteric modulators of the mGluR2 receptor, useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which the mGluR2 receptor is involved. 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 metabotropic glutamate receptors are involved, such as schizophrenia.

Process for producing cyano substituted arene boranes and compounds

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Page/Page column 12, (2008/06/13)

A process for producing cyano substituted arene boranes is described. The compounds are useful intermediates to pharmaceutical compounds using the cyano group as a reactant.

Sterically directed functionalization of aromatic C-H bonds: Selective borylation ortho to cyano groups in arenes and heterocycles

Chotana, Ghayoor A.,Rak, Michael A.,Smith, Milton R.

, p. 10539 - 10544 (2007/10/03)

Ir-catalyzed borylations of 4-substituted benzonitriles are described. In contrast to electrophilic aromatic substitutions and directed ortho metalations, C-H activation/borylation enables functionalization at the 2-position, adjacent to the cyano group, when the 4-subsitutent is larger than cyano. When an excess of borane reagent is used, diborylation can be achieved with a single regioisomer being formed in certain cases. Extension of sterically directed borylation to cyano-substituted, five- and six-membered ring heterocycles is also reported.

SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS

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Page/Page column 126, (2010/02/11)

The present invention relates to a class of substituted 1,2,4-triazoles of formula (I) with activity as oxytocin antagonists, uses thereof, processes for the preparation thereof and compositions containing, said, inhibitors. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction, particularly premature ejaculation (P.E.).

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