1H-Indazole-6-boronic Acid
Product Information
Molecular Formula
C7H7BN2O2
Molecular Weight
161.95
Description
1H-Indazole-6-boronic Acid is a versatile compound widely utilized in biochemical research and synthetic chemistry. Known for its role in Suzuki-Miyaura cross-coupling reactions, it serves as a crucial intermediate in the formation of carbon-carbon bonds. Its unique boronic acid moiety allows for selective interactions, making it a valuable tool in the synthesis of complex organic molecules. Researchers appreciate its stability and reactivity, which facilitate the development of novel compounds in various scientific domains.
Synonyms
6-Indazolyboronic acid; 1H-Indazol-6-yl-6-boronic acid; (1H-indazol-6-yl)boronic acid; Indazole-6-boronic acid; Boronic acid, 1H-indazol-6-yl-; MFCD04972419; J-500188; (2H-indazol-6-yl)boronic acid; AMBA00083; CTK5G0023
IUPAC Name
1H-indazol-6-ylboronic acid
SMILES
B(C1=CC2=C(C=C1)C=NN2)(O)O
InChI
InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10)
InChI Key
ZKNLCHWRWRYPGG-UHFFFAOYSA-N
Boiling Point
457.0±37.0 °C (Predicted)
Melting Point
112-117 °C
Flash Point
Not applicable
Purity
> 97 % (HPLC)
Density
1.420±0.10 g/cm3 (Predicted)
Appearance
White or quasi-white powder
Storage
2-8 °C
LogP
-0.75730
Safety Information
Hazards
H302
Precautionary Statement
P264, P270, P301+P312, P330, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
162.0600576 g/mol
Monoisotopic Mass
162.0600576 g/mol
Topological Polar Surface Area
69.1Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
168
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 |
|---|---|---|
| WO-2021244430-A1 | Compounds and their uses as spleen tyrosine kinase inhibitors | 2020-06-01 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| CN-113549010-A | Preparation and application of compound with AMPK agonistic activity and prodrug thereof | 2020-04-26 |
| WO-2021216757-A1 | Rna-binding protein multimerization inhibitors and methods of use thereof | 2020-04-21 |
| WO-2021211974-A1 | Hsd17b13 inhibitors and uses thereof | 2020-04-18 |
| CN-113087718-A | Thienopyrimidinone compounds and medical application thereof | 2020-01-09 |
| US-2021171455-A1 | Alpha-5 beta-1 inhibitors | 2019-12-10 |
| WO-2021119199-A1 | Alpha-5 beta-1 inhibitors | 2019-12-10 |
