3-Cumylboronic acid
Product Information
Molecular Formula
C9H13BO2
Molecular Weight
164.01
Description
3-Cumylboronic acid is a vital compound widely used in the biomedical industry. With its exceptional properties, it is employed in the synthesis of pharmaceutical drugs targeting various diseases such as cancer, diabetes, and neurological disorders.
Synonyms
M-ISOPROPYLPHENYLBORONIC ACID; RARECHEM AH PB 0151; 3-CUMYLBORONIC ACID; 3-ISOPROPYLBORONIC ACID; 3-ISOPROPYLBENZENEBORONIC ACID; 3-ISOPROPYLPHENYLBORONIC ACID
IUPAC Name
(3-propan-2-ylphenyl)boronic acid
SMILES
B(C1=CC(=CC=C1)C(C)C)(O)O
InChI
InChI=1S/C9H13BO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7,11-12H,1-2H3
InChI Key
QSWLFBMVIGQONC-UHFFFAOYSA-N
Boiling Point
294.2°C at 760mmHg
Melting Point
70-72°C
Flash Point
Not applicable
Purity
98%
Density
1.04g/cm3
Appearance
Off-white Cryst
Storage
Keep Cold
Safety Information
Hazards
H302 - H317
Precautionary Statement
P280
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
164.1008598 g/mol
Monoisotopic Mass
164.1008598 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
137
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 |
|---|---|---|
| CN-113861179-A | Novel FLT3 kinase inhibitor and synthesis and application thereof | 2021-10-22 |
| CN-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| CN-112174968-A | Organic compound for light-emitting device, application thereof, and organic electroluminescent device | 2020-10-13 |
| WO-2022008475-A1 | Indole derivatives and uses thereof for treating a cancer | 2020-07-06 |
| 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-2021191390-A1 | Azaspirocycles as monoacylglycerol lipase modulators | 2020-03-26 |
