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
Canonical 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 ℃
Flash Point
Not applicable
Purity
97 %
Storage
2-8 ℃
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
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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