3-Aminocarbonylphenylboronic acid pinacol ester
Product Information
Molecular Formula
C13H18BNO3
Molecular Weight
247.1
Description
3-Aminocarbonylphenylboronic acid pinacol ester is widely used in the synthesis of bioactive compounds and pharmaceutical intermediates. The product's exquisite chemical structure occupies an important position in the development of drugs aimed at treating a variety of diseases, including cancer, diabetes and neurological abnormalities.
Synonyms
3-Aminocarbonylphenylboronic acid pinacol ester; 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamide
IUPAC Name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N
InChI
InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)
InChI Key
BPKIPHYWHVOWMS-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%
Density
1.11g/cm3
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
247.1379736 g/mol
Monoisotopic Mass
247.1379736 g/mol
Topological Polar Surface Area
61.6Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
327
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 |
|---|---|---|
| US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 2020-01-30 |
| WO-2021155004-A1 | Strad-binding agents and uses thereof | 2020-01-30 |
| EA-034977-B1 | DERIVATIVES OF BENZOXASININ AND ITS ANALOGUES AS TNF ACTIVITY MODULATORS | 2015-06-08 |
| JP-2018521025-A | Benzoxazinone derivatives and analogs thereof as modulators of TNF activity | 2015-06-08 |
| US-10287299-B2 | Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity | 2015-06-08 |
| US-2018134728-A1 | Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity | 2015-06-08 |
| AU-2016261031-A1 | Substituted quinoxaline derivatives | 2015-05-13 |
| EP-3294729-A1 | Substituted quinoxaline derivatives | 2015-05-13 |
| JP-2018515612-A | Substituted quinoxaline derivatives | 2015-05-13 |
| US-2018148429-A1 | Substituted quinoxaline derivatives | 2015-05-13 |
