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
Canonical 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
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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