1-Propylpyrazole-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C12H21N2O2B
Molecular Weight
236.12
Description
1-Propylpyrazole-4-boronic Acid Pinacol Ester (CAS# 827614-69-7) is a useful research chemical.
Synonyms
1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
IUPAC Name
1-propyl-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)CCC
InChI
InChI=1S/C12H21BN2O2/c1-6-7-15-9-10(8-14-15)13-16-11(2,3)12(4,5)17-13/h8-9H,6-7H2,1-5H3
InChI Key
BKLGYJWLZWMIDO-UHFFFAOYSA-N
Boiling Point
338 °C at 760 mmHg
Flash Point
109.9 °F
Purity
97 %
Density
0.996 g/mL at 25 °C
Refractive Index
n20/D 1.476
LogP
1.59230
Safety Information
Hazards
H226 - H315 - H319 - H335
Precautionary Statement
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
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
268
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 |
| TW-202132298-A | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 2019-11-25 |
| US-2021094935-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-01 |
| WO-2021067374-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-01 |
| WO-2021022076-A1 | Molecules and methods related to treatment of uncontrolled cellular proliferation | 2019-08-01 |
| WO-2020259683-A1 | 2,4-disubstituted pyrimidine derivative, preparation method for same, and uses thereof | 2019-06-28 |
| CN-112142731-A | 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof | 2019-06-28 |
| WO-2020098635-A1 | Monobactam compounds and use therefor | 2018-11-13 |
| US-2021253571-A1 | Azaindole derivative and use thereof as fgfr and c-met inhibitor | 2018-07-19 |
| WO-2019238633-A1 | New isoxazolyl ether derivatives as gaba a alpha5 pam | 2018-06-13 |
