1,3-Dimethylpyrazole-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H19N2O2B
Molecular Weight
222.09
Description
1,3-Dimethylpyrazole-4-boronic Acid Pinacol Ester (CAS# 1046832-21-6) is a useful research chemical.
Synonyms
1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
IUPAC Name
1,3-dimethyl-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=C2C)C
InChI
InChI=1S/C11H19BN2O2/c1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChI Key
FBNAMBTYMSWTIB-UHFFFAOYSA-N
Melting Point
70-76 °C
Flash Point
Not applicable
Purity
97 %
Appearance
White to light beige powder or crystals or chunks
Storage
Keep in dark place, Inert atmosphere, 2-8 °C
LogP
1.02770
Safety Information
Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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
1
Exact Mass
222.1539580 g/mol
Monoisotopic Mass
222.1539580 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
267
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 |
|---|---|---|
| WO-2021216951-A1 | Condensed substituted hydropyrroles as antagonists of the muscarinic acetylcholine receptor m4 | 2020-04-24 |
| WO-2021160109-A1 | Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof | 2020-02-13 |
| CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 2020-01-15 |
| WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 2020-01-15 |
| US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| CN-112538072-A | Novel aminopyrimidine EGFR (epidermal growth factor receptor) inhibitor | 2019-09-21 |
| CN-112457295-A | Compound with Axl and c-Met kinase inhibitory activity and preparation and application thereof | 2019-09-06 |
| WO-2021043217-A1 | Compound having axl and c-met kinase inhibitory activity, preparation thereof and application thereof | 2019-09-06 |
| US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 2019-08-14 |
