1-Benzylpyrazole-4-boronic Acid
Product Information
Molecular Formula
C10H11N2O2B
Molecular Weight
202.02
Description
1-Benzylpyrazole-4-boronic Acid (CAS# 852362-22-2) is a useful research chemical.
Synonyms
[1-(phenylmethyl)-4-pyrazolyl]boronic acid; (1-benzylpyrazol-4-yl)boronic acid
IUPAC Name
(1-benzylpyrazol-4-yl)boronic acid
SMILES
B(C1=CN(N=C1)CC2=CC=CC=C2)(O)O
InChI
InChI=1S/C10H11BN2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8,14-15H,7H2
InChI Key
JXNAIAOHYPDQQC-UHFFFAOYSA-N
Boiling Point
438.4 °C at 760 mmHg
Melting Point
76-81 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.17 g/cm3
Storage
2-8 °C
LogP
-0.38880
Safety Information
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
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
202.0913578 g/mol
Monoisotopic Mass
202.0913578 g/mol
Topological Polar Surface Area
58.3Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
198
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-2019169306-A1 | Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress | 2018-03-01 |
| AU-2019226571-A1 | Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress | 2018-03-01 |
| EP-3759072-A1 | Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress | 2018-03-01 |
| US-2021040091-A1 | Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress | 2018-03-01 |
| JP-2021518856-A | Compounds, compositions, and methods for controlling toxic endoplasmic reticulum stress | 2018-03-01 |
| CN-108169409-B | Method for detecting content of monomer and trimer in organic boric acid | 2017-12-17 |
| EP-3186254-A1 | Imidazo[1,2-a]pyridine derivatives for use as inhibitors of human immunodeficiency virus replication | 2014-08-27 |
| EP-3186254-B1 | Imidazo[1,2-a]pyridine derivatives for use as inhibitors of human immunodeficiency virus replication | 2014-08-27 |
| JP-2017526748-A | Imidazo [1,2-A] pyridine derivatives for use as inhibitors of human immunodeficiency virus replication | 2014-08-27 |
| US-10065953-B2 | Imidazo[1,2-A]pyridine derivatives for use as inhibitors of human immunodeficiency virus replication | 2014-08-27 |
