4-Acetamidophenylboronic Acid
Product Information
Molecular Formula
C8H10NO3B
Molecular Weight
178.98
Description
Reactant involved in: Synthesis of TpI2 kinase inhibitors; Biological evaluation of modulators of survival motor neuron protein; Cross-coupling with conjugated dienes or terminal alkenes or diazoesters; Synthesis of tetrabutylammonium trifluoroborates; Rhosium-catalyzed cyanation.
Synonyms
(4-acetamidophenyl)boronic acid; (4-acetamidophenyl)boronic acid
IUPAC Name
(4-acetamidophenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)NC(=O)C)(O)O
InChI
InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key
VYEWTHXZHHATTA-UHFFFAOYSA-N
Melting Point
215-220 °C (lit.)
Flash Point
Not applicable
Density
1.23 g/cm3
LogP
-0.60220
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word
Danger
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
178
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-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| CN-112574216-B | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| CN-113754682-A | Compounds having macrocyclic structure and uses thereof | 2020-06-04 |
| WO-2021244609-A1 | Compound having macrocyclic structure and use thereof | 2020-06-04 |
| WO-2021231630-A1 | Substituted pyridazinone for use in the treatment of neuromuscular diseases | 2020-05-13 |
| WO-2021216949-A1 | Condensed substituted hydropyrroles as antagonists of the muscarinic acetylcholine receptor m4 | 2020-04-24 |
| WO-2021216951-A1 | Condensed substituted hydropyrroles as antagonists of the muscarinic acetylcholine receptor m4 | 2020-04-24 |
| CN-111393336-A | Sulfonamide compound, and metal-free catalysis construction method and application thereof | 2020-03-09 |
| US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 2020-01-30 |
| WO-2021155004-A1 | Strad-binding agents and uses thereof | 2020-01-30 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20809657 | 2010-10-01 | Stereocontrolled photodimerization with congested 1,8-bis(4'-anilino)naphthalene templates | The Journal of organic chemistry |
