3-Benzyloxyphenylboronic acid pinacol ester
Product Information
Molecular Formula
C19H23BO3
Molecular Weight
310.2
Description
3-Benzyloxyphenylboronic acid pinacol ester is a paramount compound within the biomedicine sector and exhibits undeniable effectiveness in combating an array of maladies including cancer, diabetes, and inflammatory ailments.
Synonyms
3-BENZYLOXYPHENYLBORONIC ACID, PINACOL ESTER; AKOS BRN-1150; 2-(3-BENZYLOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE; 2-(3-Benzyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-Benzyloxyphenylboronic acid pinacol ester
IUPAC Name
4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-11-8-12-17(13-16)21-14-15-9-6-5-7-10-15/h5-13H,14H2,1-4H3
InChI Key
CMBBWFXLHUITFS-UHFFFAOYSA-N
Boiling Point
434.901°C at 760 mmHg
Melting Point
58-62°C(lit.)
Flash Point
Not applicable
Purity
98%
Density
1.082g/cm3
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
310.1740248 g/mol
Monoisotopic Mass
310.1740248 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
374
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| AU-2016292797-A1 | A two-step process for preparing 3-substituted phenylalkylamines | 2015-07-10 |
| AU-2016292797-B2 | A two-step process for preparing 3-substituted phenylalkylamines | 2015-07-10 |
| CA-2991421-A1 | A two-step process for preparing 3-substituted phenylalkylamines | 2015-07-10 |
| CA-2991421-C | A two-step process for preparing 3-substituted phenylalkylamines | 2015-07-10 |
| EP-3319941-A1 | A two-step process for preparing 3-substituted phenylalkylamines | 2015-07-10 |
| JP-2018524322-A | Two-step process for the preparation of 3-substituted phenylalkylamines | 2015-07-10 |
| JP-6463854-B2 | Two-step process for the preparation of 3-substituted phenylalkylamines | 2015-07-10 |
| US-2017008832-A1 | Two-step process for preparing 3-substituted phenylalkylamines | 2015-07-10 |
| US-9914695-B2 | Two-step process for preparing 3-substituted phenylalkylamines | 2015-07-10 |
| WO-2017011231-A1 | A two-step process for preparing 3-substituted phenylalkylamines | 2015-07-10 |
