(2-acetamidophenyl)boronic acid
Product Information
Molecular Formula
C8H10BNO3
Molecular Weight
178.981
Description
Reactant for preparation of:• Highly substituted acenes via rhodium-catalyzed oxidative coupling with alkynes• Anticancer pyrimidines with multiple-kinase inhibitory effect• 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors• Polycyclic azaindoles as JAK2 inhibitors• ROS1 receptor tyrosine kinase inhibitors• 2-aminopyrazolopyridines as Polo-like kinase 1 inhibitors
Synonyms
(2-Acetylaminophenyl)boronic acid,2-Carbamoylbenzeneboronic acid
IUPAC Name
(2-acetamidophenyl)boronic acid
SMILES
B(C1=CC=CC=C1NC(=O)C)(O)O
InChI
InChI=1S/C8H10BNO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key
UMOPBIVXPOETPG-UHFFFAOYSA-N
Melting Point
>300 °C
Flash Point
Not applicable
Purity
≥95%
Storage
2-8°C
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
179.0753733 g/mol
Monoisotopic Mass
179.0753733 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
186
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-114014954-A | Hydrophobic decorative base paper and preparation method thereof | 2021-11-08 |
| CN-113621215-A | Preparation method of organic-inorganic hybrid biomass phenolic resin ablation-resistant material | 2021-07-28 |
| WO-2022008732-A1 | Enhancing the activity of antimicrobial preservatives | 2020-07-10 |
| WO-2021123307-A2 | Polypeptides having proteolytic activity and use thereof | 2019-12-20 |
| WO-2021115912-A1 | Formulations comprising a hydrophobically modified polyethyleneimine and one or more enzymes | 2019-12-09 |
| WO-2021074430-A1 | Storage-stable hydrolase containing liquids | 2019-10-18 |
| WO-2021058452-A1 | Mannanase for formulations having ph 5-12 | 2019-09-23 |
| WO-2021058453-A1 | Mannanase for formulations having ph 5-12 | 2019-09-23 |
| WO-2020229480-A1 | Compounds stabilizing hydrolases in liquids | 2019-05-14 |
| EP-3715445-A1 | Cellulolytic enzyme comprising laundry product | 2019-03-29 |
