1-Hydroxy-2,1-benzoxaborolane

Product Information

Molecular Formula:
C7H7O2B
Molecular Weight:
133.94
Description
Oxaboroles and benzoxaboroles are useful substrates to prepare allylic and benzylic alcohols via Suzuki coupling.
Synonyms
1-hydroxy-3H-2,1-benzoxaborole; 1-hydroxy-3H-2,1-benzoxaborole
IUPAC Name
1-hydroxy-3H-2,1-benzoxaborole
Canonical SMILES
B1(C2=CC=CC=C2CO1)O
InChI
InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
InChI Key
XOQABDOICLHPIS-UHFFFAOYSA-N
Boiling Point
237.2 °C at 760 mmHg
Melting Point
95-100 °C
Flash Point
Not applicable
Purity
97 %
Density
1.18 g/cm3
LogP
-0.09570

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
134.0539096 g/mol
Monoisotopic Mass
134.0539096 g/mol
Topological Polar Surface Area
29.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
129
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-112716948-A Application of dihydroberberine in preparing medicine for treating ulcerative colitis 2021-01-19
CN-112641951-A Bioactive supermolecule chiral hydrogel and preparation method and application thereof 2020-12-18
WO-2022054068-A1 Antibodies for the prevention, treatment and detection of coronavirus infection 2020-09-14
WO-2022040157-A1 Boron containing compounds and their uses 2020-08-18
WO-2022034593-A1 Veto car-t cells 2020-08-11
WO-2022034575-A1 Mage-a1 specific t cell receptor and uses thereof 2020-08-09
WO-2022013872-A1 Pseudotyped viruses configured to express car in t-cells 2020-07-14
WO-2022003684-A1 Composition and methods for identifying antisense guide rna for rna editing 2020-06-29
WO-2021260696-A1 Multi subunit protein modules, cells expressing same and uses thereof 2020-06-22
WO-2021255741-A1 Ephb2 antibody and use thereof in combination therapy 2020-06-17

Literatures

PMID Publication Date Title Journal
21322634 2011-03-10 Design, synthesis, and structure-activity relationship of Trypanosoma brucei leucyl-tRNA synthetase inhibitors as antitrypanosomal agents Journal of medicinal chemistry
19731939 2009-10-08 Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors Journal of medicinal chemistry
16854048 2006-07-27 Discovery of a new boron-containing antifungal agent, 5-fluoro-1,3-dihydro-1-hydroxy-2,1- benzoxaborole (AN2690), for the potential treatment of onychomycosis Journal of medicinal chemistry
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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