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863868-22-8

4-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile is a complex organic compound with the molecular formula C14H18BNO2. It is a derivative of benzonitrile, featuring a methyl group at the 4-position and a tetramethyl-1,3,2-dioxaborolane group at the 2-position. 4-Methyl-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile is primarily used as a building block in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura coupling, where it can be used to form carbon-carbon bonds. The tetramethyl-1,3,2-dioxaborolane group is a common boron-containing moiety that aids in the coupling process by stabilizing the intermediates and facilitating the reaction. This chemical is an example of the versatility of organic chemistry in creating compounds with specific functional groups for targeted applications in the synthesis of more complex molecules.

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  • 4-Methyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile

    Cas No: 863868-22-8

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  • 863868-22-8 Structure

  • Basic information

    1. Product Name: 4-Methyl-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile
    2. Synonyms: 4-Methyl-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile
    3. CAS NO:863868-22-8
    4. Molecular Formula: C14H18BNO2
    5. Molecular Weight: 243.10922
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 863868-22-8.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.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-Methyl-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-Methyl-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile(863868-22-8)
    11. EPA Substance Registry System: 4-Methyl-2-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-benzonitrile(863868-22-8)

  • 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: 863868-22-8(Hazardous Substances Data)

863868-22-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 863868-22-8 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, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 863868-22:
(8*8)+(7*6)+(6*3)+(5*8)+(4*6)+(3*8)+(2*2)+(1*2)=218
218 % 10 = 8
So 863868-22-8 is a valid CAS Registry Number.

863868-22-8SDS

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

1.2 Other means of identification

Product number -
Other names 4-METHYL-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZONITRILE

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:863868-22-8 SDS

863868-22-8Downstream Products

863868-22-8Relevant articles and documents

Process for producing cyano substituted arene boranes and compounds

-

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.

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