Benzofurazan-5-boronic acid pinacol ester
Product Information
Molecular Formula
C12H15BN2O3
Molecular Weight
246.07
Description
Benzofurazan-5-boronic acid pinacol ester is a pivotal constituent wielded in the field of biomedicine and offers immense scope in pharmaceutical advancements. This multifaceted compound facilitates the creation of paradigm-shifting boron-infused remedies, catering to a spectrum of maladies encompassing malignancies, inflammatory afflictions, and neural degenerative ailments.
Synonyms
Benzofurazan-5-boronic acid pinacol ester; Benzo[c][1,2,5]oxadiazole-5-boronic acid pinacol ester; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofurazan
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NON=C3C=C2
InChI
InChI=1S/C12H15BN2O3/c1-11(2)12(3,4)17-13(16-11)8-5-6-9-10(7-8)15-18-14-9/h5-7H,1-4H3
InChI Key
MQXANAGMQAYTMV-UHFFFAOYSA-N
Melting Point
87-91 °C
Flash Point
Not applicable
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
246.1175725 g/mol
Monoisotopic Mass
246.1175725 g/mol
Topological Polar Surface Area
57.4Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
321
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 |
|---|---|---|
| WO-2021058595-A1 | Herbicidal compounds | 2019-09-24 |
| US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| US-2020223844-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| BR-112021010341-A2 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| CA-3120240-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| CA-3120667-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 2018-12-14 |
| KR-20200073499-A | Novel 3,3-difluoroallylamine derivatives or its salt and pharmaceutical compositions comprising the same | 2018-12-14 |
| KR-20200073503-A | Triazolopyridine-3-one derivatives or its salt and pharmaceutical compositions comprising the same | 2018-12-14 |
| KR-20210092312-A | 3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| KR-20210092314-A | Triazolopyridin-3-one or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
