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
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 |
