2-ISOBUTOXY-5-METHYLPHENYLBORONIC ACID
Product Information
Molecular Formula
C11H17BO3
Description
2-ISOBUTOXY-5-METHYLPHENYLBORONIC ACID is a crucial compound used in biomedicine and is employed as a reagent in organic synthesis and pharmaceutical research. Its exceptional properties make it an effective tool for developing potential drugs to address various diseases, including cancer and diabetes.
Synonyms
(2-Isobutoxy-5-methylphenyl)boronic acid; [5-Methyl-2-(2-methylpropoxy)phenyl]boronic acid; (2-Isobutoxy-5-methylphenyl)boronicacid
IUPAC Name
[5-methyl-2-(2-methylpropoxy)phenyl]boronic acid
SMILES
B(C1=C(C=CC(=C1)C)OCC(C)C)(O)O
InChI
InChI=1S/C11H17BO3/c1-8(2)7-15-11-5-4-9(3)6-10(11)12(13)14/h4-6,8,13-14H,7H2,1-3H3
InChI Key
DJGCEUCMCLMRKN-UHFFFAOYSA-N
Purity
95%
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
4
Exact Mass
208.1270746 g/mol
Monoisotopic Mass
208.1270746 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
185
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 |
|---|---|---|
| AU-2016255424-A1 | Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators | 2015-04-29 |
| CA-2984290-A1 | Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators | 2015-04-29 |
| EP-3288936-A1 | Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators | 2015-04-29 |
| EP-3288936-B1 | Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators | 2015-04-29 |
| JP-2018514547-A | Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators | 2015-04-29 |
| KR-20170141767-A | Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators | 2015-04-29 |
| US-10611730-B2 | Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators | 2015-04-29 |
| US-2019092735-A1 | Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators | 2015-04-29 |
| WO-2016176449-A1 | Benzimidazolone and benzothiazolone compounds and their use as ampa receptor modulators | 2015-04-29 |
| AU-2016255424-B2 | Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators | 2015-04-29 |
