4-Isopropoxyphenylboronic Acid
Product Information
Molecular Formula
C9H13O3B
Molecular Weight
180.01
Description
Reactant for: Microwave-mediated click-chemistry synthesis of glyco-porphyrin derivatives with in vitro photo-cytotoxicity for application in photodynamic therapy; Palladium-catalyzed oxidative cross-coupling reactions; Ruthenium-catalyzed hydrogenation reactions; Stereoselective rhodium-catalyzed arylation; Palladium acetate catalyzed C-glycosidation.
Synonyms
(4-propan-2-yloxyphenyl)boronic acid; (4-propan-2-yloxyphenyl)boronic acid
IUPAC Name
(4-propan-2-yloxyphenyl)boronic acid
SMILES
B(C1=CC=C(C=C1)OC(C)C)(O)O
InChI
InChI=1S/C9H13BO3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3
InChI Key
CJUHQADBFQRIMC-UHFFFAOYSA-N
Boiling Point
321.9 °C at 760 mmHg
Density
1.1 g/cm3
LogP
0.15360
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
180.0957744 g/mol
Monoisotopic Mass
180.0957744 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
142
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-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| JP-2022022902-A | Compound with fluorene skeleton | 2020-07-10 |
| CN-111518058-A | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111518058-B | Oxathiazine compound and application thereof | 2020-05-29 |
| CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 2020-05-29 |
| WO-2021238587-A1 | Micromolecular oxathiazine derivative and use thereof | 2020-05-29 |
| WO-2021238588-A1 | Oxathiazine compound and use thereof | 2020-05-29 |
| WO-2021226206-A2 | Cannabinoid receptor type 2 (cb2) modulators and uses thereof | 2020-05-05 |
| EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 2020-03-10 |
