Indole-6-boronic Acid

Product Information

Molecular Formula:
C8H8NO2B
Molecular Weight:
160.97
Description
Reactant involved in synthesis of: Indole compounds for use as HIV-1 glycoprotein-41 fusion inhibitors; δ-Carbolines / carbozoles; Trisubstituted pyrimidines as PI3K inhibitors; (Thienopyridine)carboxamides as CHK1 inhibitors; cis-FluorostilbenesReactant involved in Suzuki-Miyaura reactions. Used in a study of racemization in Suzuki cross-couplings of arylamino acids.
Synonyms
1H-indol-6-ylboronic acid; 1H-indol-6-ylboronic acid
IUPAC Name
1H-indol-6-ylboronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)C=CN2)(O)O
InChI
InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H
InChI Key
ZVMHOIWRCCZGPZ-UHFFFAOYSA-N
Boiling Point
433.2 °C at 760 mmHg
Melting Point
177-181 °C
Purity
≥ 95 %
Density
1.33 g/cm3
Storage
2-8 °C
LogP
-0.15230

Safety Information

Hazards
H315 - H319 - H335
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
2
Rotatable Bond Count
1
Exact Mass
161.0648087 g/mol
Monoisotopic Mass
161.0648087 g/mol
Topological Polar Surface Area
56.2Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165
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-114042069-A 5-substituted pyridazine-4-amine derivative, preparation method and application 2021-10-22
KR-20220008787-A Novel Compounds as Histone Deacetylase 6 Inhibitor, and Pharmaceutical Composition Comprising the same 2020-07-14
WO-2021244430-A1 Compounds and their uses as spleen tyrosine kinase inhibitors 2020-06-01
WO-2021219780-A1 Microbiocidal compounds 2020-05-01
CN-110563732-A 7- (trimethoxyphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof 2019-09-04
CN-110563732-B 7- (trimethoxyphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof 2019-09-04
KR-102215255-B1 Novel compounds useful as fluorescent probes selectively binding to tau aggregates and preparation method thereof 2019-06-12
KR-20200142215-A Novel compounds useful as fluorescent probes selectively binding to tau aggregates and preparation method thereof 2019-06-12
US-2020369656-A1 Inhibitors of camkk2 and uses of same 2019-05-24
US-2022055989-A1 Condensed pyrroles as novel bromodomain inhibitors 2018-12-21
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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