1-Ethylpyrazole-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H19N2O2B
Molecular Weight
222.09
Description
1-Ethylpyrazole-4-boronic Acid Pinacol Ester (CAS# 847818-70-6) is a useful research chemical.
Synonyms
1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
IUPAC Name
1-ethyl-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)CC
InChI
InChI=1S/C11H19BN2O2/c1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
InChI Key
UGCRHVPUHAXAAE-UHFFFAOYSA-N
Boiling Point
322.6 °C at 760 mmHg
Melting Point
44-49 °C
Flash Point
Not applicable
Purity
97 %
Density
1.04 g/cm3
Appearance
Solid
LogP
1.20220
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
222.1539580 g/mol
Monoisotopic Mass
222.1539580 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
255
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-114195799-A | Pyrazine derivative and application thereof in inhibition of SHP2 | 2020-09-02 |
| WO-2022031928-A1 | Salt inducible kinase inhibitors | 2020-08-05 |
| WO-2021207186-A1 | Cd38 inhibitors | 2020-04-07 |
| WO-2021197276-A1 | Amide compounds and uses thereof | 2020-03-30 |
| CN-112538072-A | Novel aminopyrimidine EGFR (epidermal growth factor receptor) inhibitor | 2019-09-21 |
| WO-2021047407-A1 | Biaryl compound, pharmaceutical composition comprising same, preparation method therefor, and use thereof | 2019-09-10 |
| CN-114096525-A | Biaryl compounds, pharmaceutical compositions containing them, processes for their preparation and their use | 2019-09-10 |
| WO-2020254487-A1 | Hydroxyisoxazolines and derivatives thereof | 2019-06-21 |
| TW-202115049-A | Hydroxyisoxazolines and derivatives thereof | 2019-06-21 |
| WO-2020223255-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 2019-04-29 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5831 | 1975-01-01 | [Spontaneous diurnal variations as well as the effect of TRH, MIH and LH-RH on growth hormone secretion in active acromegaly] | Verhandlungen der Deutschen Gesellschaft fur Innere Medizin |
