3-tert-Butylphenylboronic acid
Product Information
Molecular Formula
C10H15BO2
Molecular Weight
178.04
Description
3-tert-Butylphenylboronic acid is a compound of significant importance in the biomedical industry and finds extensive usage in the synthesis of a myriad of pharmaceuticals aimed at addressing diverse ailments. Bestowed with the remarkable attribute of boronic acid functionality, this product assumes the role of an invaluable reagent facilitating the creation of anti-cancer agents, enzyme inhibitors, and various therapeutic modalities. Its excellent reactivity and wide range of applications give it an important position in drug discovery efforts and medicinal chemistry research.
Synonyms
(3-tert-Butylphenyl)boronic acid; (3-(tert-Butyl)phenyl)boronic acid; M-T-BUTYLPHENYLBORONIC ACID; 3-tert-butylphenylboronicacid; 3-tert-Butylbenzene boronic acid; Boronic acid, [3-(1,1-dimethylethyl)phenyl]-; 3-(tert-Butyl)phenylboronic Acid; 3-t-butylphenylboronic acid; 3-t-butylphenyl boronic acid; m-tert-Butylphenylboronic acid; SCHEMBL840219; m-tert-Butylbenzene boronic acid; 3-tert-Butylphenylboronic acid
IUPAC Name
(3-tert-butylphenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)C(C)(C)C)(O)O
InChI
InChI=1S/C10H15BO2/c1-10(2,3)8-5-4-6-9(7-8)11(12)13/h4-7,12-13H,1-3H3
InChI Key
OKBOGYOXEDEGOG-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302 - H318
Precautionary Statement
P280 - P301 + P312 + P330 - P305 + P351 + P338 + P310
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
178.1165099 g/mol
Monoisotopic Mass
178.1165099 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
163
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 |
|---|---|---|
| WO-2021255698-A1 | Heterocyclic compound and an organic electroluminescence device comprising the heterocyclic compound | 2020-06-19 |
| KR-20210152729-A | Compound and organic light emitting device comprising the same | 2020-06-09 |
| CN-113675350-A | Composition, organic light-emitting device including the same, display apparatus, image pickup apparatus, electronic apparatus, lighting apparatus, and moving object | 2020-05-15 |
| EP-3910045-A1 | Iridium complex-containing composition, organic light emitting device having the same, display apparatus, imaging apparatus, electronic equipment, lighting apparatus, and moving body | 2020-05-15 |
| JP-2021178798-A | A composition containing an iridium complex, an organic light emitting device having the iridium complex, a display device, an image pickup device, an electronic device, a lighting device, a moving body. | 2020-05-15 |
| KR-20210141330-A | Iridium complex-containing composition, organic light emitting device having the same, display apparatus, imaging apparatus, electronic equipment, lighting apparatus, and moving body | 2020-05-15 |
| US-2021359225-A1 | Iridium complex-containing composition, organic light emitting device having the same, display apparatus, imaging apparatus, electronic equipment, lighting apparatus, and moving body | 2020-05-15 |
| WO-2021191384-A1 | Aryl piperidines as monoacylglycerol lipase modulators | 2020-03-26 |
| US-2022081428-A1 | Azaspirocycles as monoacylglycerol lipase modulators | 2020-03-26 |
| EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
