p-Tolylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H19O2B
Molecular Weight
218.10
Description
p-Tolylboronic Acid Pinacol Ester (CAS# 195062-57-8) is used in the synthesis of antimicrobial compounds, showing gram-negatice activity. Also used in the synthesis of component chemicals to thin-film transistors.
Synonyms
4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C
InChI
InChI=1S/C13H19BO2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3
InChI Key
GKSSEDDAXXEPCP-UHFFFAOYSA-N
Boiling Point
298.2 °C at 760 mmHg
Flash Point
Not applicable
Density
0.98 g/cm3
LogP
2.29420
Safety Information
Hazards
H315 - H319 - H335 - H413
Precautionary Statement
P261, P264, P271, P273, 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
1
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
239
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-113444116-A | System and method for continuous chemical reactions for arylboronic acid ester synthesis under flow via microfluidic chip | 2021-06-04 |
| WO-2021231474-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-05-12 |
| US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 2020-01-30 |
| CN-110627823-A | Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation | 2019-10-17 |
| CN-110627823-B | Method for catalyzing arylamine to generate deamination boric acid esterification or halogenation | 2019-10-17 |
| CN-109824520-A | A kind of preparation method of cis- -4- methyl ring amine | 2019-03-14 |
| CN-109824520-B | Preparation method of cis-4-methylcyclohexylamine | 2019-03-14 |
| TW-202045487-A | Pd-l1 antagonist compounds | 2019-02-21 |
| US-2022071953-A1 | Small Molecule Analogs Of The Protein E4ORF1 In The Treatment And Prevention Of Metabolic Disorders | 2019-01-08 |
| US-2021384443-A1 | Compounds that can be used in an organic electronic device as active compounds | 2018-09-27 |
