Benzylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H19O2B
Molecular Weight
218.10
Description
Benzylboronic Acid Pinacol Ester (CAS# 87100-28-5) is a useful research chemical.
Synonyms
4,4,5,5-tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane; 2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChI Key
YCNQPAVKQPLZRS-UHFFFAOYSA-N
Boiling Point
65 °C / 0.15 mmHg
Flash Point
Not applicable
Purity
96 %
Density
0.980 g/mL at 25 °C
Refractive Index
n20/D 1.490
LogP
2.08130
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
218.1478100 g/mol
Monoisotopic Mass
218.1478100 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
228
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 |
|---|---|---|
| CN-113461393-A | Dry-mixed self-leveling mortar | 2021-07-28 |
| WO-2021174475-A1 | Organic compounds | 2020-03-05 |
| WO-2021175971-A1 | Heterocyclic derivatives as trmp8 antagonists | 2020-03-05 |
| CN-113135943-A | Boronic acid derivatives | 2020-01-19 |
| CN-113135944-A | Boronic acid derivatives | 2020-01-19 |
| WO-2021127743-A1 | Substituted hydroxystilbene compounds and derivatives synthesis and uses thereof | 2019-12-23 |
| CN-110790661-A | Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by using carbon dioxide | 2019-10-29 |
| US-2021128744-A1 | Thienoazepine immunoconjugates, and uses thereof | 2019-10-25 |
| WO-2021081402-A1 | Macromolecule-supported thienoazepine compounds, and uses thereof | 2019-10-25 |
| WO-2021081407-A1 | Thienoazepine immunoconjugates, and uses thereof | 2019-10-25 |
