1,3,5-Trimethylpyrazole-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C12H21N2O2B
Molecular Weight
236.12
Description
1,3,5-Trimethylpyrazole-4-boronic Acid Pinacol Ester (CAS# 844891-04-9) is a useful research chemical.
Synonyms
1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
IUPAC Name
1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2C)C)C
InChI
InChI=1S/C12H21BN2O2/c1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13/h1-7H3
InChI Key
IZNGYNMIIVJWSO-UHFFFAOYSA-N
Boiling Point
335.7 °C at 760 mmHg
Melting Point
97-101 °C
Flash Point
Not applicable
Purity
97 %
Density
1.04 g/cm3
LogP
1.33610
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
1
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
293
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-2021207186-A1 | Cd38 inhibitors | 2020-04-07 |
| KR-20210076876-A | Novel indazole derivatives and use thereof | 2019-12-16 |
| WO-2021125802-A1 | Novel indazole derivative, and use thereof | 2019-12-16 |
| EP-3967694-A1 | 2, 4, 6-tri-substituted pyrimidine compound as atr kinase inhibitor | 2019-06-06 |
| CN-111909157-A | EZH2 inhibitors and uses thereof | 2019-05-07 |
| CN-113365989-A | EZH2 inhibitors and uses thereof | 2019-05-07 |
| KR-20210079318-A | H4 antagonist compounds | 2018-10-19 |
| WO-2020039027-A1 | Pyrrolidine glycosidase inhibitors | 2018-08-22 |
| US-2021213005-A1 | Pyrrolidine glycosidase inhibitors | 2018-08-22 |
