2-butoxyphenylboronic acid
Product Information
Molecular Formula
C10H15O3B
Molecular Weight
194.03
Description
• Potentially pharmacologically and biologically active inhibitor of hormone-sensitive lipase
Synonyms
2-BUTOXYPHENYLBORONIC ACID; AKOS BRN-0943; 2-Butoxyphenylbronic acid; 2-Butoxymethylboronic acid; 2-Butyloxyphenylboronic acid
IUPAC Name
(2-butoxyphenyl)boronic acid
SMILES
B(C1=CC=CC=C1OCCCC)(O)O
InChI
InChI=1S/C10H15BO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChI Key
NNZPYUBZXKOFHS-UHFFFAOYSA-N
Boiling Point
351.8°C at 760 mmHg
Melting Point
69-73°C
Purity
95%
Density
1.08g/cm3
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
194.1114245 g/mol
Monoisotopic Mass
194.1114245 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
152
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 |
|---|---|---|
| US-2020165249-A1 | Functionalized heterocycles as antiviral agents | 2018-11-21 |
| WO-2020106816-A1 | Functionalized heterocycles as antiviral agents | 2018-11-21 |
| TW-202033524-A | Functionalized heterocycles as antiviral agents | 2018-11-21 |
| AU-2019385477-A1 | Functionalized heterocycles as antiviral agents | 2018-11-21 |
| BR-112021009854-A2 | heterocycles functionalized as antiviral agents | 2018-11-21 |
| CA-3119973-A1 | Functionalized heterocycles as antiviral agents | 2018-11-21 |
| CN-113271946-A | Functionalized heterocyclic compounds as antiviral agents | 2018-11-21 |
| EP-3883570-A1 | Functionalized heterocycles as antiviral agents | 2018-11-21 |
| KR-20210093951-A | Functionalized Heterocycles as Antiviral Agents | 2018-11-21 |
| JP-2022507724-A | Functionalized heterocycle as an antiviral agent | 2018-11-21 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21201464 | 2008-01-16 | (2-Butoxy-phen-yl)boronic acid | Acta crystallographica. Section E, Structure reports online |
