4-Isopropoxyphenylboronic Acid - CAS 153624-46-5
Catalog: |
BB010919 |
Product Name: |
4-Isopropoxyphenylboronic Acid |
CAS: |
153624-46-5 |
Synonyms: |
(4-propan-2-yloxyphenyl)boronic acid; (4-propan-2-yloxyphenyl)boronic acid |
IUPAC Name: | (4-propan-2-yloxyphenyl)boronic acid |
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. |
Molecular Weight: | 180.01 |
Molecular Formula: | C9H13O3B |
Canonical 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 |
MDL: | MFCD03427051 |
LogP: | 0.15360 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
CN-111518058-A | Oxathiazine compound and application thereof | 20200529 |
CN-111518058-B | Oxathiazine compound and application thereof | 20200529 |
CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
EP-3878891-A1 | Dynamic covalent hydrogels, precursors thereof and uses thereof | 20200310 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0957744 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0957744 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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