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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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