4-Fluoro-2-methoxyphenylboronic Acid

Inquiry

Molecular Formula:

C7H8FO3B

Molecular Weight:

169.95

CAS Number:

179899-07-1

Catalog Number:

179899-07-1

Product Information

Molecular Formula:

C7H8FO3B

Molecular Weight:

169.95

Description

Reactant involved in: Suzuki-Miyaura cross-coupling reactions for synthesis of heterobiaryls; Suzuki and Still coupling for synthesis of antithrombotic drugs. Reactant / precursor used for the synthesis of biologically active molecules including: 2-(4-pyridyl)thienopyridinones for use as GSK-3β inhibitors; Arylheteroarylmethylamines as NR2B subtype of NMDA receptor antagonists with antidepressant activity; Biphenylketones for use as dual modulators of inflammation and bone loss; CB1 antagonists.

Synonyms

(4-fluoro-2-methoxyphenyl)boronic acid; (4-fluoro-2-methoxyphenyl)boronic acid

IUPAC Name

(4-fluoro-2-methoxyphenyl)boronic acid

Canonical SMILES

B(C1=C(C=C(C=C1)F)OC)(O)O

InChI

InChI=1S/C7H8BFO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3

InChI Key

ADJBXDCXYMCCAD-UHFFFAOYSA-N

Boiling Point

294.8 °C at 760 mmHg

Melting Point

131-136 °C (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.26 g/cm³

LogP

-0.48590

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

170.0550524 g/mol

Monoisotopic Mass

170.0550524 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

145

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-113563275-A	Preparation and application of aminopyrimidine derivatives selectively targeting CDK9	2021-07-27
CN-113603708-A	Preparation method and application of novel CDK9 inhibitor with macrocyclic framework structure	2021-07-27
CN-113105491-A	Pyridine diphenoxyl boron fluoride compound, application thereof and organic electroluminescent device containing compound	2021-04-13
CN-114075195-A	Pyrimidone derivatives and their use in medicine	2020-08-21
WO-2022037560-A1	Pyrimidone derivative and application thereof in drug	2020-08-21
CN-113831335-A	Pyridine [2,3-d ] pyrimidine-4- (3H) -ketone compound and preparation method and application thereof	2020-06-24
CN-113121528-A	Multi-target inhibition compound, composition, functional molecule and application thereof	2020-01-15
WO-2021143729-A1	Compound, composition and functional molecule with multi-target inhibiting effect and use thereof	2020-01-15
WO-2021130732-A1	Antibacterial quinolines	2019-12-27
KR-102288205-B1	Heterocyclic compound and organic light emitting device comprising same	2019-12-13

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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