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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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