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
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 |
