2-Phenoxyphenylboronic Acid

Inquiry

Molecular Formula:

C12H11O3B

Molecular Weight:

214.02

CAS Number:

108238-09-1

Catalog Number:

108238-09-1

Product Information

Molecular Formula:

C12H11O3B

Molecular Weight:

214.02

Description

Reactant for: Palladium catalyzed cross-coupling reactions; Trifluoromethylation via copper-mediated oxidative cross-coupling; Preparation of biologically and pharmacologically active molecules; Preparation of pyridazine-based scaffolds as a-helix mimetics.

Synonyms

(2-phenoxyphenyl)boronic acid; (2-phenoxyphenyl)boronic acid

IUPAC Name

(2-phenoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC=CC=C1OC2=CC=CC=C2)(O)O

InChI

InChI=1S/C12H11BO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9,14-15H

InChI Key

AVOWPOFIQZSVGV-UHFFFAOYSA-N

Boiling Point

369 °C at 760 mmHg

Melting Point

104-108 °C (lit.)

Density

1.23 g/cm³

LogP

1.15870

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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

214.0801244 g/mol

Monoisotopic Mass

214.0801244 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

204

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-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
CN-111072696-A	Synthesis method of 2-phenoxyphenylboronic acid	2019-12-13
WO-2021094976-A1	Diaryloxybenzoheterodiazole compounds di-substituted with thienothiophenic groups	2019-11-12
WO-2021088787-A1	Quinazoline compound used as axl inhibitor	2019-11-07
CN-112094266-A	Pyrrolopyridinone compound, preparation method, composition and application thereof	2019-06-17
WO-2020253711-A1	Pyrrolopyridone compound, preparation method therefor, and composition and use thereof	2019-06-17
CN-112079829-A	1,2, 4-triazole [4,3-a ] pyridine derivative and preparation method and application thereof	2019-06-14
CN-112079829-B	1,2, 4-triazole [4,3-a ] pyridine derivative and preparation method and application thereof	2019-06-14

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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