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Home > Product > Heterocyclic Organic Compounds > Benzylboronic acid pinacol ester

Benzylboronic acid pinacol ester | CAS Number: 87100-28-5

Catalog Number
ACM87100285
Product Name
Benzylboronic acid pinacol ester
Structure
CAS Number
87100-28-5
IUPAC Name
4,4,5,5-tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane
Synonyms
2-BENZYL-4,4,5,5-TETRAMETHYL-(1,3,2)DIOXABOROLANE;Benzylboronic acid pinacol est;4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane;Benzylboronic acid pinacol ester 96%;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen benzylboronate
Molecular Weight
218.1
Exact Mass
236.15800
Molecular Formula
C13H19BO2
Boiling Point
65ºC0.15 mm Hg
Flash Point
>230 °F
Density
0.980 g/mL at 25ºC
Purity
95%
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC=C2
InChIKey
YCNQPAVKQPLZRS-UHFFFAOYSA-N
H-Bond Donor
0
H-Bond Acceptor
2
Safty Description
S23-S24/25
Hazard Statements
Xi: Irritant;
WGK Germany
3
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1A Double Prodrug with Improved Membrane Permeability over the Parent Chelator HBED Provides Superior Cytoprotection against Hydrogen Peroxide.

Thiele NA1, Sloan KB2.

ChemMedChem. 2016 Aug 5;11(15):1596-9. doi: 10.1002/cmdc.201600197. Epub 2016 Jul 21.

The clinical use of N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid (HBED) has been hindered by its lack of bioavailability. N,N'-bis(2-boronic pinacol ester benzyl)ethylenediamine-N,N'-diacetic acid methyl, ethyl, and isopropyl esters 7 a-c, respectively, and their dimesylate salts 8 a-c, are double prodrugs that mask the two phenolate and two carboxylate donors of HBED as boronic esters and carboxylate esters, respectively. Read More

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Email:
Tel:1-201-478-8534
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Fax: 1-516-927-0118
Address: Suite 212, Waverly Plaza, 755 Waverly Avenue, Holtsville, NY 11742, USA