4-Pyrazoleboronic Acid Pinacol Ester
Product Information
Molecular Formula
C9H15N2O2B
Molecular Weight
194.04
Description
Reagent used for: Suzuki-Miyaura cross-couplings ; Ruthenium-catalyzed asymmetric hydrogenation Reagent used in preparation of inhibitors of many highly significant therapeutic enzymes and kinases containing the privileged scaffold pyrazole, including; VEGF ; Aurora; Rho (ROCK); Janus Kinase 2 (JAK) ; c-MET ; ALK ; S-nitrosoglutathione reductase ; CDC7 ; Acetyl-CoA carboxylase ; Prosurvival Bcl-2 protein ; Viral RNA-Dependent RNA polymerase ; Long Chain Fatty Acid Elongase 6; PI3 ; AKT ; Chk1 ; Protein Kinase B.
Synonyms
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNN=C2
InChI
InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12)
InChI Key
TVOJIBGZFYMWDT-UHFFFAOYSA-N
Boiling Point
335.4 °C at 760 mmHg
Melting Point
142-146 °C (lit.)
Purity
97 %
Density
1.09 g/cm3
LogP
0.70890
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
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
194.1226579 g/mol
Monoisotopic Mass
194.1226579 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
217
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-113480546-A | Preparation of Baricitinib and derivatives thereof | 2021-07-30 |
| CN-113582998-A | Preparation of 4- (1H-pyrazol-4-yl) -7H-pyrrolo [2,3-d ] pyrimidine | 2021-06-25 |
| CN-113336751-A | High-efficiency salt-induced kinase inhibitor and preparation method thereof | 2021-05-31 |
| CN-112500580-A | Preparation method and application of cobalt-based metal organic framework catalyst for activating oxygen molecules | 2020-11-30 |
| CZ-34975-U1 | Human constitutive adrostane receptor ligands | 2020-11-09 |
| CN-112538069-A | Azole derivative or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 2020-11-05 |
| CN-112239469-B | Targeted protein degradation c-Met degradation agent and preparation method and application thereof | 2020-10-20 |
| CN-114181199-A | 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof | 2020-09-15 |
| WO-2022051634-A1 | Quinoline cgas antagonist compounds | 2020-09-03 |
| WO-2022042691-A1 | Heterocyclic glp-1 agonists | 2020-08-28 |
