(3-t-butyl-5-methylphenyl)boronic acid
Product Information
Molecular Formula
C11H17BO2
Molecular Weight
192.06
Description
(3-t-butyl-5-methylphenyl)boronic acid is an effective organoboronic acid compound in the biomedical industry. It’s used in the synthesis of diverse pharmaceutical substances, particularly in cancer treatment drugs through Suzuki-Miyaura cross-coupling reactions.
Synonyms
(3-(tert-Butyl)-5-methylphenyl)boronic acid; (3-tert-butyl-5-methylphenyl)boronic acid; 3-t-Butyl-5-methylphenylboronic acid; (3-T-BUTYL-5-METHYLPHENYL)BORONIC ACID; 3-(tert-Butyl)-5-methylbenzeneboronic acid; p-Methylphenacylamine; 3-tert-butyl-5-methylphenylboronic acid; 3-(tert-Butyl)-5-methylphenylboronic Acid; (3-(tert-Butyl)-5-methylphenyl)boronicacid; (3-t-butyl-5-methylphenyl)boronic acid; Boronic acid,[3-(1,1-dimethylethyl)-5-methylphenyl]-(9ci)
IUPAC Name
(3-tert-butyl-5-methylphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1)C(C)(C)C)C)(O)O
InChI
InChI=1S/C11H17BO2/c1-8-5-9(11(2,3)4)7-10(6-8)12(13)14/h5-7,13-14H,1-4H3
InChI Key
XWWPIVKWAIMBMU-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302 - H318
Precautionary Statement
P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
192.1321599 g/mol
Monoisotopic Mass
192.1321599 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
186
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-2022053905-A1 | Organic metal complex, light-emitting device, light-emitting apparatus, electronic equipment, and lighting device | 2020-09-11 |
| CN-113105508-A | Organometallic complex, top-emission light-emitting material, light-emitting device, light-emitting apparatus, electronic device, and lighting apparatus | 2020-01-10 |
| DE-102020135111-A1 | Organometallic complex, top emission light-emitting material, light-emitting device, light-emitting device, electronic device and lighting device | 2020-01-10 |
| KR-20210090555-A | Organometallic complex, light-emitting material for top emission, light-emitting device, light-emitting apparatus, electronic device, and lighting device | 2020-01-10 |
| US-2021214381-A1 | Organometallic complex, light-emitting material for top emission, light-emitting device, light-emitting apparatus, electronic device, and lighting device | 2020-01-10 |
| JP-2021175719-A | Organometallic complexes, light emitting materials for top emissions, light emitting devices, light emitting devices, electronic devices and lighting devices | 2020-01-10 |
| TW-202132322-A | Organometallic complex, light-emitting material for top emission, light-emitting device, light-emitting apparatus, electronic device, and lighting device | 2020-01-10 |
| CN-111825721-A | Organometallic compound, and organic light emitting device and diagnostic composition including the same | 2019-04-16 |
| EP-3725793-A1 | Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound | 2019-04-16 |
| KR-20200121655-A | Organometallic compound, organic light emitting device including the same and a composition for diagnosing including the same | 2019-04-16 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 5780 | 1976-01-01 | Microbial interactions in foods: meats, poultry and dairy products | Society for Applied Bacteriology symposium series |
