1H-Indazole-6-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C13H17N2O2B
Molecular Weight
244.10
Description
1H-Indazole-6-boronic Acid Pinacol Ester (CAS# 937049-58-6) is a useful research chemical.
Synonyms
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
IUPAC Name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=NN3
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9-8-15-16-11(9)7-10/h5-8H,1-4H3,(H,15,16)
InChI Key
YDWZPHAJTNZBEG-UHFFFAOYSA-N
Boiling Point
404.1 °C at 760 mmHg
Melting Point
134-139 °C
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.15 g/cm3
Storage
Inert atmosphere, 2-8 °C
LogP
1.86210
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
244.1383080 g/mol
Monoisotopic Mass
244.1383080 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
319
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-113045582-A | PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 2021-02-05 |
| WO-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| WO-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| WO-2021244430-A1 | Compounds and their uses as spleen tyrosine kinase inhibitors | 2020-06-01 |
| CN-113549010-A | Preparation and application of compound with AMPK agonistic activity and prodrug thereof | 2020-04-26 |
| US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 2020-01-30 |
| WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 2019-12-20 |
| WO-2021124222-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 2019-12-20 |
| TW-202136241-A | Pyrazolyl derivatives useful as anti-cancer agents | 2019-12-20 |
| US-2021171455-A1 | Alpha-5 beta-1 inhibitors | 2019-12-10 |
