1-Isopropylpyrazole-4-boronic Acid Pinacol Ester

Product Information

Molecular Formula:
C12H21N2O2B
Molecular Weight:
236.12
Description
1-Isopropylpyrazole-4-boronic Acid Pinacol Ester (CAS# 879487-10-2) is a useful research chemical.
Synonyms
1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
IUPAC Name
1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)C
InChI
InChI=1S/C12H21BN2O2/c1-9(2)15-8-10(7-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
InChI Key
OGYYMVGDKVJYSU-UHFFFAOYSA-N
Melting Point
36-44 °C
Flash Point
No data available
Purity
97 %
Storage
2-8 °C
LogP
1.76320

Safety Information

Hazards
H315 - H319 - H335
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
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
236.1696081 g/mol
Monoisotopic Mass
236.1696081 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
278
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-114181199-A 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof 2020-09-15
WO-2022036188-A1 Phd inhibitor compounds, compositions, and methods of use 2020-08-14
WO-2022015957-A1 Compounds and compositions for treating conditions associated with sting activity 2020-07-15
WO-2022015977-A1 Compounds and compositions for treating conditions associated with sting activity 2020-07-15
CN-113831323-A Aromatic heterocyclic amide compound and application thereof 2020-06-24
WO-2021243596-A1 Aminopyrimidine compounds, preparation methods and uses thereof 2020-06-03
WO-2021244560-A1 Aminopyrimidine compounds, preparation methods and uses thereof 2020-06-03
WO-2021247606-A1 Nitrogen-containing fused bicyclic compounds and their use as ubiquitin-specific-processing protease 1 (usp1) inhibitors 2020-06-02
WO-2021207186-A1 Cd38 inhibitors 2020-04-07
US-2021214366-A1 Bicyclic heterocycles as fgfr inhibitors 2020-01-15
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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