5-Indoleboronic Acid Pinacol Ester
Product Information
Molecular Formula
C14H18NO2B
Molecular Weight
243.11
Description
5-Indoleboronic Acid Pinacol Ester (CAS# 269410-24-4) is a useful research chemical.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9,16H,1-4H3
InChI Key
FATPQDPUKVVCLT-UHFFFAOYSA-N
Boiling Point
396 °C at 760 mmHg
Melting Point
120-125 °C (lit.)
Flash Point
Not applicable
Purity
97 %
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-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 |
| CN-113493407-A | Pyridine compound and preparation method and pharmaceutical application thereof | 2020-04-03 |
| WO-2021202977-A1 | Pyrrolopyrimidine amines as complement inhibitors | 2020-04-03 |
| US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 2019-12-20 |
| WO-2021127301-A1 | 4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 2019-12-20 |
| WO-2020142485-A1 | Kinase inhibitor compounds and compositions and methods of use | 2018-12-31 |
| WO-2020142486-A1 | Kinase inhibitor compounds and compositions and methods of use | 2018-12-31 |
| AU-2019418800-A1 | Kinase inhibitor compounds and compositions and methods of use | 2018-12-31 |
| CA-3124700-A1 | Kinase inhibitor compounds and compositions and methods of use | 2018-12-31 |
| CN-113508111-A | Kinase inhibitor compounds and compositions and methods of use | 2018-12-31 |
