3-Acetamidophenylboronic acid pinacol ester

Product Information

Molecular Formula:
C14H20BNO3
Molecular Weight:
261.12
Description
3-Acetamidophenylboronic acid pinacol este is a bioactive compound with anti-cancer, diabetes and inflammation properties.
Synonyms
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide
IUPAC Name
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C
InChI
InChI=1S/C14H20BNO3/c1-10(17)16-12-8-6-7-11(9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
InChI Key
CZFSGYCLOCCASM-UHFFFAOYSA-N
Melting Point
185-190 °C (lit.)
Flash Point
Not applicable
Purity
97%

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

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
CN-113264937-A 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof 2021-06-08
WO-2020172324-A1 Nurr1 receptor modulators 2019-02-19
CN-113692276-A NURR1 receptor modulators 2019-02-19
CN-109652817-A A kind of small Generator for sodium hypochlorite for sewage treatment 2019-01-08
CN-109652817-B Small-sized sodium hypochlorite generator for sewage treatment 2019-01-08
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
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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