3-(Hydroxymethyl)phenylboronic acid

Product Information

Molecular Formula:
C7H9BO3
Molecular Weight:
151.96
Description
Reactant involved in:• Copper-mediated trifluoromethylation• Copper-catalyzed transformations from arylboronic acids in water• Mitsunobu, Suzuki, and amidation reactions with hydroxyphenylamino bromopyrazinecarboxylateReactant involved in the synthesis of biologically active molecules including:• Mycobacterium tuberculosis H37Rv chorismate mutase inhibitors via Suzuki coupling reactions• HIV protease inhibitors with antiviral activity against drug-resistant viruses• Pyrrole derivatives for use as PDE4B inhibitors
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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