3-(Hydroxymethyl)phenylboronic acid

Product Information

Molecular Formula
C7H9BO3
Molecular Weight
151.96
Description
3-(Hydroxymethyl)phenylboronic acid is a versatile compound widely utilized in biochemical research, particularly in the synthesis of complex molecules. Known for its ability to form reversible covalent bonds with diols, it plays a crucial role in the detection and separation of carbohydrates. This compound is also instrumental in the development of sensors and materials due to its unique binding properties. Its stability and reactivity make it an essential component for various applications in the field of organic chemistry.
Synonyms
3-Boronobenzyl alcohol; 3-hydroxymethylbenzeneboronic acid; 3-hydroxymethylboronic acid; RARECHEM AH PB 0189; 3-HydroMethylphenylboronicacid; KS-000000LJ; m-(Hydroxymethyl)phenyl boronic acid
IUPAC Name
[3-(hydroxymethyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)CO)(O)O
InChI
InChI=1S/C7H9BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9-11H,5H2
InChI Key
HGTDLKXUWVKLQX-UHFFFAOYSA-N
Boiling Point
380.5±44.0 °C (Predicted)
Melting Point
95-99 °C
Flash Point
Not applicable
Purity
97%
Density
1.250±0.10 g/cm3 (Predicted)
Solubility
Soluble in Water
Appearance
Off-white Powder
Storage
2-8 °C

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
152.0644743 g/mol
Monoisotopic Mass
152.0644743 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
118
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-114014847-A Benzothiophene pyrimidine derivative, preparation method thereof and application thereof in preparation of antitumor drugs 2021-12-08
CN-113968824-A 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 2021-11-29
WO-2022051634-A1 Quinoline cgas antagonist compounds 2020-09-03
JP-2022029881-A A drug containing a pyridine compound substituted with heteroaryl as an active ingredient. 2020-08-06
WO-2022022687-A1 Salt and crystal forms of pyrimidine group-containing tricyclic compound and preparation method therefor 2020-07-31
CN-111592487-A Hydroximic acid group-containing diarylethene LSD1/HDACs double-target inhibitor, and preparation method and application thereof 2020-06-09
WO-2021224320-A1 New macrocyclic lrrk2 kinase inhibitors 2020-05-06
CN-111377968-A Aryl-containing boronic acids99mTc (III) complex, its kit formula and application 2020-03-09
CN-111146496-A Polymer electrolyte and lithium ion battery containing same 2019-12-23
CN-111146496-B Polymer electrolyte and lithium ion battery containing same 2019-12-23
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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