2-Aminophenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C12H18NO2B
Molecular Weight
219.09
Description
Reactant involved in synthesis of: Indolo[3,4-cd][1]benzazepines via Pictet-Spengler-type cyclizations; Antimicrobial amphiphilic aryl peptideomimetics; Pyridoquinazolines and benzo[h][1,6]naphthyridines via intramolecular electrophilic substitution reactions; Thienopyridine derivatives; Dihydroquinolones; Methacrylamidophenylboronic acids.
Synonyms
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC Name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N
InChI
InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3
InChI Key
ZCJRWQDZPIIYLM-UHFFFAOYSA-N
Boiling Point
335.6 °C at 760 mmHg
Melting Point
63-68 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.05 g/cm3
LogP
2.14920
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
3
Rotatable Bond Count
1
Exact Mass
219.1430590 g/mol
Monoisotopic Mass
219.1430590 g/mol
Topological Polar Surface Area
44.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
252
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-113929635-A | 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof | 2021-11-09 |
| CN-113528123-A | Host material and organic electroluminescent device comprising same | 2021-09-16 |
| CN-113528123-B | Host material and organic electroluminescent device comprising same | 2021-09-16 |
| CN-113387817-A | Fluorine-containing aromatic diamine compound, preparation method thereof and colorless transparent polyimide film | 2021-07-27 |
| CN-112939964-A | Benzo-heterocycle substituted phenanthridine quaternary ammonium salt derivative and preparation method and application thereof | 2021-03-09 |
| CN-112500568-A | Polyimide film and preparation method thereof | 2020-12-24 |
| CN-112500568-B | Polyimide film and preparation method thereof | 2020-12-24 |
| CN-112679418-A | Nitrogen-containing aromatic heterocyclic diamine and preparation method thereof | 2020-12-24 |
| US-2022069241-A1 | Organic electroluminescent materials and devices | 2020-08-25 |
| WO-2021263278-A1 | Rev-erb agonists for the treatment of th17-mediated inflammatory disorders | 2020-06-23 |
