Benzoxazole-5-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H16NO3B
Molecular Weight
245.08
Description
Benzoxazole-5-boronic Acid Pinacol Ester (CAS# 936902-12-4) is a useful research chemical.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC=N3
InChI
InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-5-6-11-10(7-9)15-8-16-11/h5-8H,1-4H3
InChI Key
CHLWHHUKKHNQTH-UHFFFAOYSA-N
Melting Point
88-93 °C
Flash Point
Not applicable
Purity
97 %
Storage
2-8 °C
LogP
2.12700
Safety Information
Hazards
H302 + H312 + H332
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
245.1223235 g/mol
Monoisotopic Mass
245.1223235 g/mol
Topological Polar Surface Area
44.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
318
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 |
|---|---|---|
| US-2021355142-A1 | Compound, material for an organic electroluminescent device and application thereof | 2021-04-23 |
| WO-2022047347-A1 | Protein secretion inhibitors | 2020-08-31 |
| WO-2021139775-A1 | Pyridone compound and application | 2020-01-10 |
| WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 2019-07-11 |
| TW-202116754-A | Indazoles and azaindazoles as lrrk2 inhibitors | 2019-07-11 |
| JP-2022512398-A | 3,3-Difluoroallylamine or a salt thereof and a pharmaceutical composition containing them. | 2018-12-14 |
| KR-20210018243-A | C26-linked rapamycin analogues as mTOR inhibitors | 2018-05-01 |
| KR-20210018244-A | C40-, C28- and C-32-linked rapamycin analogs as mTOR inhibitors | 2018-05-01 |
| US-2021078975-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 2018-04-09 |
| US-2020338084-A1 | Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof | 2018-01-02 |
