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1,3,6,2-Trioxaborocane, 2-phenyl- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

53690-21-4

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53690-21-4 Usage

Type

Boronic acid derivative

Application

Used as a reagent in organic chemistry for the synthesis of various organic molecules and pharmaceuticals

Potential application

Studied for its potential use in drug discovery and medicinal chemistry

Structural and chemical properties

Unique properties that contribute to its versatility in the development of new pharmaceuticals and materials

Role

Plays an important role in the development of new pharmaceuticals and materials

Check Digit Verification of cas no

The CAS Registry Mumber 53690-21-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,6,9 and 0 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 53690-21:
(7*5)+(6*3)+(5*6)+(4*9)+(3*0)+(2*2)+(1*1)=124
124 % 10 = 4
So 53690-21-4 is a valid CAS Registry Number.

53690-21-4SDS

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-phenyl-1,3,6,2-trioxaborocane

1.2 Other means of identification

Product number -
Other names di(ethylene glycol) phenylboronic 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:53690-21-4 SDS

53690-21-4Downstream Products

53690-21-4Relevant academic research and scientific papers

Stability of boronic esters - Structural effects on the relative rates of transesterification of 2-(phenyl)-1,3,2-dioxaborolane

Roy, Chandra D.,Brown, Herbert C.

, p. 784 - 790 (2007/10/03)

Relative rates of reaction of the achiral cyclic phenylboronic ester 2-(phenyl)-1,3,2-dioxaborolane with a wide variety of structurally modified diols, have been studied to understand the factors influencing the relative stabilities of boronic esters. It is found that the alkyl substituents on the α-carbons of diols slow down the transesterification, but produce thermodynamically more stable boronic ester. Six-membered boronic esters are thermodynamically more stable than their corresponding five-membered analogs. Amongst cyclic 1,2-diols, cis-1,2-cyclopentanediol displaces ethylene glycol instantaneously whereas trans-1,2-cyclopentanediol is totally unreactive, which suggests that the cis-stereochemistry of the 1,2-diol is a prerequisite for transesterification. Among the 1,5-diols, diethanolamine displaces ethylene glycol quite rapidly forming a more stable bicyclic chelate in which nitrogen is attached to boron by a coordinating bond (as evident by 11B NMR spectroscopy). The oxygen atom of di(ethylene glycol) and the sulfur atom of 2,2′-thiodiethanol do not assist in displacing the ethylene glycol from their boronic esters.

The structure of the benzeneboronate of pentane-1,3,5-triol

Bourne, Edward J.,Mckinley, Ian R.,Weigel, Helmut

, p. 141 - 149 (2007/10/16)

The relative ease of formation of five-, six-, seven-, and eight-membered cyclic benzeneboronates is discussed. Pentane-1,3,5-triol forms, by interaction with benzene-boronic anhydride, exclusively DL-4-(2-hydroxyethyl)-2-phenyl-1,3,2-dioxaborinane. It is suggested that, in this compound, the oxygen atom of the hydroxyl group is intramolecularly co-ordinated with the boron atom.

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