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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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