4-Methoxyphenylboronic Acid Pinacol Ester

Product Information

Molecular Formula:
C13H19O3B
Molecular Weight:
234.10
Description
4-Methoxyphenylboronic Acid Pinacol Ester (CAS# 171364-79-7) is an arylboronate ester used in the copper-catalyzed alkylation and arylation of chiral propargylic phosphates as well as in Suzuki-Miyaura coupling reaction.
Synonyms
2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6-9H,1-5H3
InChI Key
VFIKPDSQDNROGM-UHFFFAOYSA-N
Boiling Point
321.1 °C at 760 mmHg
Flash Point
Not applicable
Density
1.02 g/cm3
LogP
1.99440

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
234.1427246 g/mol
Monoisotopic Mass
234.1427246 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
254
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-113480523-A Preparation method of pimobendan 2021-06-22
CN-113264954-A Fluorescent probe molecule for detecting hydrogen peroxide and preparation method thereof 2021-05-28
WO-2021249896-A1 Novel imidazopyrazine derivatives 2020-06-09
KR-20210147923-A 5-membered heteroaryl comprising one or more N derivatives and pharmaceutical composition for use in preventing or treating mental illness containing the same as an active ingredient 2020-05-29
WO-2021241982-A1 5-membered heteroaryl derivative containing at least one n, and pharmaceutical composition for preventing or treating mental disorders, containing same as active ingredient 2020-05-29
CN-111004149-A Method for preparing polyfluorobenzonitrile by catalytic fluorination of polychlorinated benzonitrile 2019-12-27
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
US-2020206216-A1 Inhibitors of fibroblast activation protein 2018-12-21
JP-2022514352-A Inhibitor of fibroblast-activated protein 2018-12-21
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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