4-(Bromomethyl)phenylboronic Acid
Product Information
Molecular Formula
C7H8BrO2B
Molecular Weight
214.85
Description
Reactant involved in: Design of boronic acid-based autotaxin inhibitors; Synthesis of boronated phosphonium salts; Studies of incorporation of boronic acid groups to enhance gene transfection capability; Investigations of the effect of boronic acid-positioning in optical glucose-sensing ensemble.
Synonyms
[4-(bromomethyl)phenyl]boronic acid; [4-(bromomethyl)phenyl]boronic acid
IUPAC Name
[4-(bromomethyl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)CBr)(O)O
InChI
InChI=1S/C7H8BBrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2
InChI Key
PDNOURKEZJZJNZ-UHFFFAOYSA-N
Boiling Point
343.1 °C at 760 mmHg
Melting Point
173-177 °C
Density
1.57 g/cm3
Appearance
White to off-white powder or crystals or flakes
Storage
2-8 °C
LogP
0.26130
Safety Information
Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
213.98007 g/mol
Monoisotopic Mass
213.98007 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
113
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-114045082-A | Composite coating with self-repairing, air-permeable and wear-resistant properties, and preparation method and application thereof | 2021-12-14 |
| CN-114099674-A | Copper or zinc carrier carrying diethyl dithiocarbamate prodrug, preparation and application | 2021-11-23 |
| CN-113908275-A | Light-excited multi-stage nano carrier inspired by biostability and preparation method and application thereof | 2021-10-19 |
| CN-113372335-A | Phenylalanine derivative containing 1,2, 4-triazole thioether and preparation method and application thereof | 2021-07-05 |
| CN-113278094-A | Cyclodextrin derivative and preparation method and application thereof | 2021-05-31 |
| CN-113278094-B | Cyclodextrin derivative and preparation method and application thereof | 2021-05-31 |
| CN-112957456-A | Insulin/bidentate cyclodextrin/polyacrylamide intelligent hydrogel and preparation method and application thereof | 2021-02-07 |
| CN-112915205-A | Photosensitizer/enzyme combination delivery system for anti-tumor photodynamic sensitization therapy and preparation method thereof | 2021-02-03 |
| CN-112920208-A | Boric acid-containing indole aryl sulfone derivative and preparation method and application thereof | 2021-01-28 |
| CN-112807443-A | Multiple synergistic antibacterial nano prodrug | 2021-01-20 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21615078 | 2011-07-14 | Structure-based design of novel boronic acid-based inhibitors of autotaxin | Journal of medicinal chemistry |
| 20625601 | 2010-08-28 | Enhanced gene transfection capability of polyethylenimine by incorporating boronic acid groups | Chemical communications (Cambridge, England) |
