4-(2H-Tetrazol-5-yl)phenylboronic Acid
Product Information
Molecular Formula
C7H7N4O2B
Molecular Weight
189.97
Description
Product is used as a reactant for palladium-catalyzed carbon-carbon bond formation (Suzuki-Miyuara reaction).
Synonyms
[4-(2H-tetrazol-5-yl)phenyl]boronic acid; [4-(2H-tetrazol-5-yl)phenyl]boronic acid
IUPAC Name
[4-(2H-tetrazol-5-yl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)C2=NNN=N2)(O)O
InChI
InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
InChI Key
DXUPJOQUAAVAGV-UHFFFAOYSA-N
Boiling Point
480.3 °C at 760 mmHg
Melting Point
174-179 °C (Decomposition)
Flash Point
Not applicable
Density
1.51 g/cm3
Appearance
Solid
Storage
2-8 °C
LogP
-1.45350
Safety Information
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
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
190.0662056 g/mol
Monoisotopic Mass
190.0662056 g/mol
Topological Polar Surface Area
94.9Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
187
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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 2019-05-14 |
| US-2021261545-A1 | Tricyclic protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 2018-06-21 |
| US-2019300569-A1 | Peptide macrocycles against acinetobacter baumannii | 2018-03-28 |
| WO-2019185572-A1 | Peptide macrocycles against acinetobacter baumannii | 2018-03-28 |
| CN-111886019-A | Peptide macrocycles against acinetobacter baumannii | 2018-03-28 |
| EP-3773655-A1 | Peptide macrocycles against acinetobacter baumannii | 2018-03-28 |
| JP-2021519286-A | Peptide macrocycle molecule for Acinetobacter baumannii | 2018-03-28 |
| WO-2019149738-A1 | Protein kinase mkk4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 2018-01-31 |
| AU-2019216264-A1 | Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death | 2018-01-31 |
