4-Isopropoxyphenylboronic Acid

Name: 4-Isopropoxyphenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C9H13O3B

Molecular Weight:

180.01

CAS Number:

153624-46-5

Catalog Number:

153624-46-5

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

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

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

180.0957744 g/mol

Monoisotopic Mass

180.0957744 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

142

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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