Indole-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C14H18NO2B
Molecular Weight
243.11
Description
Indole-4-boronic Acid Pinacol Ester (CAS# 388116-27-6) is a useful research chemical.
Synonyms
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=CC=C2
InChI
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-9,16H,1-4H3
InChI Key
QDCIXBBEUHMLDN-UHFFFAOYSA-N
Boiling Point
396 °C at 760 mmHg
Melting Point
168-173 °C
Purity
95 %
Density
1.11 g/cm3
LogP
2.46710
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
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
243.1430590 g/mol
Monoisotopic Mass
243.1430590 g/mol
Topological Polar Surface Area
34.2Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
316
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-2022032071-A1 | Kinase inhibitors and uses thereof | 2020-08-07 |
| WO-2021233376-A1 | 2,4,6-tri-substituted pyrimidine compounds as atr kinase inhibitors | 2020-05-20 |
| WO-2021219091-A2 | Quinoxalinone derivative as irreversible inhibitor of kras g12c mutant protein | 2020-04-29 |
| WO-2021064186-A1 | Novel pyridin-2(1h)one derivatives, their preparation and their use for the treatment of pain | 2019-10-04 |
| US-2021078996-A1 | Hpk1 antagonists and uses thereof | 2019-09-13 |
| US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 2019-09-13 |
| US-2021078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 2019-09-13 |
| US-2021087189-A1 | SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 2019-09-13 |
| US-2021087190-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 2019-09-13 |
| US-11021481-B2 | Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists | 2019-09-13 |
