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
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 |
