1-Methylindole-2-boronic acid, pinacol ester
Product Information
Molecular Formula
C15H20BNO2
Molecular Weight
257.1
Description
1-Methylindole-2-boronic acid, pinacol ester is an essential intermediate for the synthesis of bioactive molecules. It is particularly suitable for the development of therapeutics targeting bacterial pathogenesis and inflammation-related diseases, and it expands the applicability and robustness of biomedical research.
Synonyms
1-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
IUPAC Name
1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3N2C
InChI
InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-11-8-6-7-9-12(11)17(13)5/h6-10H,1-5H3
InChI Key
KMLZZUZKSQWHKC-UHFFFAOYSA-N
Melting Point
97-101 °C
Flash Point
Not applicable
Purity
96%
Storage
−20°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
257.1587090 g/mol
Monoisotopic Mass
257.1587090 g/mol
Topological Polar Surface Area
23.4Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
342
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-2022042591-A1 | Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof | 2020-08-26 |
| WO-2020190073-A1 | Pharmaceutical composition comprising novel azolopyrimidine heterocyclic compound as active ingredient | 2019-03-20 |
| KR-20200112712-A | pharmaceutical composition containing azolopyrimidine heterocyclic compound as an active ingredient | 2019-03-20 |
| EP-3939988-A1 | Pharmaceutical composition comprising novel azolopyrimidine heterocyclic compound as active ingredient | 2019-03-20 |
| US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 2018-09-28 |
| BR-112021005896-A2 | monoacylglycerol lipase modulators | 2018-09-28 |
| CN-113164459-A | Monoacylglycerol lipase modulators | 2018-09-28 |
| IL-281812-D0 | Monoacylglycerol lipase modulators | 2018-09-28 |
| JP-2022502440-A | Monoacylglycerol lipase regulator | 2018-09-28 |
| DE-102018000521-A1 | Polycyclic organophosphorus compound, a device comprising the compound, and the use of the compound as an electroluminescent material | 2018-01-23 |
