2-(5-Tetrazolyl)phenylboronic Acid
Product Information
Molecular Formula
C7H7N4O2B
Molecular Weight
189.97
Description
2-(Tetrazol-5-yl)phenylboronic acid can be used as a reactant to prepare: Biaryltetrazole derivatives via Suzuki-Miyaura cross-coupling with aryl and heteroaryl halides via formation of C-C bond; 2-Aminobenzoxazole derivatives containing biphenyl tetrazole as potent human chemR23 inhibitors; o-Phenylenediamine possessing tetrazolyl derivatives as potent inhibitors of indoleamine 2,3-dioxygenase.
Synonyms
[2-(2H-tetrazol-5-yl)phenyl]boronic acid; [2-(2H-tetrazol-5-yl)phenyl]boronic acid
IUPAC Name
[2-(2H-tetrazol-5-yl)phenyl]boronic acid
SMILES
B(C1=CC=CC=C1C2=NNN=N2)(O)O
InChI
InChI=1S/C7H7BN4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)
InChI Key
GVRXWYFECKHTSJ-UHFFFAOYSA-N
Boiling Point
507.1 °C at 760 mmHg
Melting Point
148-152 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.51 g/cm3
Storage
2-8 °C
LogP
-1.45350
Safety Information
Hazards
H319
Precautionary Statement
P264, P280, P305+P351+P338, and P337+P313
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
195
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-113150246-A | Fluorine-containing epoxy resin curing agent and preparation method thereof | 2021-04-19 |
| CN-111848601-A | Compound containing condensed ring, application thereof and pharmaceutical composition containing compound | 2019-04-30 |
| US-2020069695-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 2018-08-29 |
| US-11253525-B2 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 2018-08-29 |
| WO-2020023355-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 2018-07-23 |
| WO-2020023356-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 2018-07-23 |
| US-2021299126-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 2018-07-23 |
| US-2021355113-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 2018-07-23 |
| CN-109180649-B | IDO inhibitor containing indole ring and preparation method thereof | 2017-08-18 |
| EP-3601267-A1 | 2-methyl-quinazolines | 2017-03-21 |
