4-(N,N-Dimethylaminocarbonyl)phenylboronic acid
Product Information
Molecular Formula
C9H12BNO3
Molecular Weight
193.01
Description
Reactant for preparation of:• Selective glucocorticoid receptor agonists• (thienopyridine)carboxamides as checkpoint 1 kinase (CHK1) inhibitors• [(pyrrolo[2,3-b]pyridinyl)methylene]hydroxybenzofuranones as ATP-competitive inhibitors of the mammalian target of rapamycin• Pyrrolopyridines as inhibitors of insulin-like growth factor-1 receptor tyrosine kinaseReactant for:• Copper-mediated N-arylation of quinazolinediones
Synonyms
(4-(Dimethylaminocarbonyl)phenyl)boronic acid,4-(N,N-Dimethylaminocarbonyl)phenylboronic acid,4-(Dimethylcarbamoyl)benzeneboronic acid,4-Dimethylcarbamoylphenylboronic acid,[4-(N,N-Dimethylaminocarbonyl)phenyl]boronic acid,[4-(N,N-Dimethylcarbamoyl)phenyl]boronic acid
IUPAC Name
[4-(dimethylcarbamoyl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)C(=O)N(C)C)(O)O
InChI
InChI=1S/C9H12BNO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3
InChI Key
QJYYVSIRDJVQJW-UHFFFAOYAG
Melting Point
141-145 °C
Flash Point
Not applicable
Purity
97%
Storage
2-8°C
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - 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
200
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-113788790-A | Aromatic heterocyclic amide derivative and application thereof | 2021-10-18 |
| CN-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| WO-2022020150-A1 | Methods of extending lifespan by administering ferroptosis inhibitors | 2020-07-21 |
| 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 |
| WO-2021175270-A1 | Novel hpk1 inhibitor, preparation method therefor and application thereof | 2020-03-03 |
| WO-2021055744-A1 | 4-substituted indole and indazole sulfonamido derivatives as parg inhibitors | 2019-09-20 |
| WO-2021019051-A1 | Inhibitors of human atgl | 2019-07-30 |
| CA-3147471-A1 | Inhibitors of human atgl | 2019-07-30 |
| WO-2021013083-A1 | Tricyclic compounds as hpk1 inhibitor and the use thereof | 2019-07-17 |
