2-Acetylaminophenylboronic acid pinacol ester
Product Information
Molecular Formula
C14H20BNO3
Molecular Weight
261.13
Description
2-Acetylaminophenylboronic acid pinacol ester plays an important role in drug synthesis, especially in the production of molecular structures similar to cephalosporins. Its application extends to the use of antibiotics, and is known for its significant inhibition of the proliferation of Gram-negative bacteria.
Synonyms
2'-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ACETANILIDE; 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ACETANILIDE; 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl); 2-ACETYLAMINOPHENYLBORONIC ACID, PINACOL
IUPAC Name
N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)C
InChI
InChI=1S/C14H20BNO3/c1-10(17)16-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
InChI Key
FTLANOKZIXLBML-UHFFFAOYSA-N
Boiling Point
424.2°C at 760 mmHg
Melting Point
172-176°C
Purity
98%
Density
1.07 g/cm3
Appearance
White to tan powder or crystals
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
261.1536237 g/mol
Monoisotopic Mass
261.1536237 g/mol
Topological Polar Surface Area
47.6Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
341
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-2021133917-A1 | Smarca inhibitors and uses thereof | 2019-12-23 |
| US-2020206216-A1 | Inhibitors of fibroblast activation protein | 2018-12-21 |
| CN-113811529-A | Fibroblast activation protein inhibitor | 2018-12-21 |
| JP-2022514352-A | Inhibitor of fibroblast-activated protein | 2018-12-21 |
| CN-110506044-A | A kind of BRD4 inhibitor and its preparation and application | 2017-04-13 |
| WO-2018188660-A1 | Brd4 inhibitor, preparation and application thereof | 2017-04-13 |
| US-2018166634-A1 | Organic light-emitting device and compound | 2016-12-14 |
| AU-2011343712-A1 | Tricyclic PI3k inhibitor compounds and methods of use | 2010-12-16 |
| AU-2011343712-B2 | Tricyclic PI3k inhibitor compounds and methods of use | 2010-12-16 |
| AU-2015268776-A1 | Tricyclic PI3k inhibitor compounds and methods of use | 2010-12-16 |
