3-(Hydroxymethyl)phenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H19O3B
Molecular Weight
234.10
Description
3-(Hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 443776-76-9) is a useful research chemical.
Synonyms
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
IUPAC Name
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CO
InChI
InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8,15H,9H2,1-4H3
InChI Key
ZEWWJJQAFTXUIS-UHFFFAOYSA-N
Boiling Point
363.7 °C at 760 mmHg
Melting Point
42-46 °C
Flash Point
>230 °F
Purity
96 %
Density
1.07 g/cm3
Storage
2-8 °C
LogP
1.47810
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
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
38.7Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
262
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 |
|---|---|---|
| WO-2020156453-A1 | Pyrimidinyl group-containing tricyclic compound serving as c-met inhibitor | 2019-02-01 |
| EP-3919492-A1 | Pyrimidinyl group-containing tricyclic compound serving as c-met inhibitor | 2019-02-01 |
| KR-20210123360-A | A tricyclic compound containing a pyrimidinyl group as a c-Met inhibitor | 2019-02-01 |
| WO-2020103897-A1 | Heterocyclic fused pyrimidine derivative, pharmaceutical composition thereof, and application thereof | 2018-11-22 |
| CN-108794656-B | Broad-spectrum active oxygen cluster scavenging material and preparation method and application thereof | 2018-05-11 |
| CN-110650962-A | Tetraphenylporphyrin derivatives | 2017-05-22 |
| JP-WO2018216679-A1 | Tetraphenylporphyrin derivative | 2017-05-22 |
| US-2020087315-A1 | Tetraphenylporphyrin derivative | 2017-05-22 |
| US-11008330-B2 | Tetraphenylporphyrin derivative | 2017-05-22 |
| US-2019345139-A1 | Histone methyltransferase ezh2 inhibitor, preparation method and pharmaceutical use thereof | 2017-01-25 |
