4-Bromomethylphenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H18BrO2B
Molecular Weight
297.00
Description
4-Bromomethylphenylboronic Acid Pinacol Ester (CAS# 138500-85-3) is used in the synthesis of metalloproteinase-13 inhibitors in the treatment of osteoarthritis.
Synonyms
2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3
InChI Key
CBUOGMOTDGNEAW-UHFFFAOYSA-N
Boiling Point
351.2 °C at 760 mmHg
Melting Point
85-89 °C
Flash Point
Not applicable
Purity
95 %
Density
1.26 g/cm3
Storage
Keep in dark place, Sealed in dry, Room Temperature
LogP
2.88070
Safety Information
Precautionary Statement
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word
Danger
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
296.05832 g/mol
Monoisotopic Mass
296.05832 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
257
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-114163463-A | Near-infrared fluorescent two-photon fluorescent probe design aiming at real-time change of hydrogen peroxide in tumor process and synthetic method thereof | 2021-10-31 |
| CN-113896739-A | Reactive rhodamine B derivative fluorescent probe and preparation method and application thereof | 2021-08-26 |
| CN-114106024-A | Fluorescent probe and preparation method and application thereof | 2021-07-26 |
| CN-113264954-A | Fluorescent probe molecule for detecting hydrogen peroxide and preparation method thereof | 2021-05-28 |
| CN-113135948-A | For detecting ClO-/ONOO-Ratiometric fluorescent probes, methods of making and uses thereof | 2021-03-12 |
| CN-112979686-A | Novel boron carrier, preparation method and pharmaceutical preparation thereof | 2021-02-08 |
| CN-112851935-A | Active oxygen triggered charge annihilation type super-charge cationic polymer transfection reagent and preparation and application thereof | 2021-01-11 |
| CN-112574739-A | Hydrogel sensor based on modified fluorescein derivative and preparation method thereof | 2020-12-28 |
| CN-112574243-A | Synthesis and application of hydrogen peroxide long-wavelength fluorescent probe with quick response | 2020-12-21 |
| CN-112574243-B | Synthesis and application of hydrogen peroxide long-wavelength fluorescent probe with quick response | 2020-12-21 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21247121 | 2011-01-10 | Microwave-mediated synthesis of an arylboronate library | ACS combinatorial science |
