2-(Dimethylaminocarbonyl)benzeneboronic acid

Product Information

Molecular Formula:
C9H12BNO3
Molecular Weight:
193.01
Description
2-(Dimethylaminocarbonyl)benzeneboronic acid is a boronic acid derivative utilized in Suzuki coupling reactions for pharmaceutical synthesis. It's primarily used in the creation of drugs targeting neurodegenerative diseases and certain types of cancer.
Synonyms
2-(N,N-Dimethylaminocarbonyl)phenylboronic acid; [2-(dimethylcarbamoyl)phenyl]boronic acid; 2-(Dimethylcarbamoyl)benzeneboronic acid; 2-(dimethylcarbamoyl)phenylboronic acid; (2-(Dimethylcarbamoyl)phenyl)boronicacid; 2-(Dimethylaminocarbonyl)benzeneboronic acid; Boronic acid,B-[2-[(dimethylamino)carbonyl]phenyl]-; 2-(Dimethylaminocarbonyl)phenylboronic acid
IUPAC Name
[2-(dimethylcarbamoyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC=CC=C1C(=O)N(C)C)(O)O
InChI
InChI=1S/C9H12BNO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6,13-14H,1-2H3
InChI Key
NZIOVLXULSCCSG-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H319
Precautionary Statement
P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
193.0910234 g/mol
Monoisotopic Mass
193.0910234 g/mol
Topological Polar Surface Area
60.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
208
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
EP-3878891-A1 Dynamic covalent hydrogels, precursors thereof and uses thereof 2020-03-10
WO-2021180795-A1 Dynamic covalent hydrogels, precursors thereof and uses thereof 2020-03-10
US-2019374542-A1 Kras g12c inhibitors and methods of using the same 2018-06-12
BR-112020012635-A2 aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors 2017-12-22
CA-3070013-A1 Substituted pyrrolopyridine-derivatives 2017-07-18
EP-3655406-A1 Substituted pyrrolopyridine-derivatives 2017-07-18
WO-2019016071-A1 SUBSTITUTED PYRROLOPYRIDINE DERIVATIVES 2017-07-18
JP-2018170236-A Nonaqueous electrolyte for batteries and lithium secondary battery 2017-03-30
JP-6884020-B2 Non-aqueous electrolyte for batteries and lithium secondary battery 2017-03-30
DE-102017005091-A1 Substituted 3,4-dihydropyrido [2,3-b] pyrazine-2 (1H) -one 2016-05-30
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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