(4-acetamidomethylphenyl)boronic acid
Product Information
Molecular Formula
C9H12BNO3
Molecular Weight
193.01
Description
(4-acetamidomethylphenyl)boronic acid is an important intermediate in the field of drug development. It is widely used in the study of various types of neurological disorders, including Parkinson's disease and schizophrenia.
Synonyms
4-Acetamidomethylphenylboronic acid; [4-(acetamidomethyl)phenyl]boronic acid; (4-ACETAMIDOMETHYLPHENYL)BORONIC ACID; 4-(Acetylaminomethyl)benzeneboronic acid; 4-[(Acetylamino)methyl]benzeneboronic acid; 4-acetamidomethylbenzeneboronic acid; 4-(acetamidomethyl)phenylboronic acid; 4-(Acetamidomethyl)benzeneboronic acid; (4-acetamidomethylphenyl)-boronic acid; (4-(acetamidomethyl)phenyl)-boronic acid; (4-acetamidomethylphenyl)boronic acid
IUPAC Name
[4-(acetamidomethyl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)CNC(=O)C)(O)O
InChI
InChI=1S/C9H12BNO3/c1-7(12)11-6-8-2-4-9(5-3-8)10(13)14/h2-5,13-14H,6H2,1H3,(H,11,12)
InChI Key
ZMJVNKSOLIUBKO-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
193.0910234 g/mol
Monoisotopic Mass
193.0910234 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
191
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 |
| WO-2020180907-A1 | Imidazopyridazine compounds useful as modulators of il-12, il-23 and/or ifn alpha responses | 2019-03-05 |
| EP-3935058-A1 | Imidazopyridazine compounds useful as modulators of il-12, il-23 and/or ifn alpha responses | 2019-03-05 |
| KR-20210135274-A | Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses | 2019-03-05 |
| WO-2014188173-A1 | Pyrazolopyrimidine derivatives useful as inhibitors of bruton's tyrosine kinase | 2013-05-20 |
| EA-028722-B1 | DERIVATIVES OF IMIDAZOPIRIDINE AS TNF ACTIVITY MODULATORS | 2012-07-13 |
| EP-2872508-A1 | Imidazopyridine derivatives as modulators of tnf activity | 2012-07-13 |
| EP-2872508-B1 | Imidazopyridine derivatives as modulators of tnf activity | 2012-07-13 |
| JP-2015522051-A | Imidazopyridine derivatives as modulators of TNF activity | 2012-07-13 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5206 | 1976-06-01 | Pharmacological evidence for a central alpha-sympathomimetic mechanism controlling blood pressure and heart rate | Circulation research |
