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
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 |
