4-Fluoro-3-formylphenylboronic acid

Name: 4-Fluoro-3-formylphenylboronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C7H6BFO3

Molecular Weight:

167.93

CAS Number:

374538-01-9

Catalog Number:

374538-01-9

Product Information

Molecular Formula:

C7H6BFO3

Molecular Weight:

167.93

Description

Reactant for: Preparation of arylmethylpyrrolidinylmethanols and amine derivatives via reaction with MIDA, followed by Suzuki reaction with halides or amination with amines; Preparation of N-(biarylsulfonyl) a-amino acids as MMP-12 inhibitors using a genetic algorithm; Preparation of para-substituted formylarylboronic esters for regioselective Suzuki-Miyaura cross-coupling with bromobenzene.

Synonyms

(4-fluoro-3-formylphenyl)boronic acid

IUPAC Name

(4-fluoro-3-formylphenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C7H6BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H

InChI Key

YABSTJQEBSKPCG-UHFFFAOYSA-N

Boiling Point

342.9 °C at 760 mmHg

Melting Point

215-220 °C

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.33 g/cm³

Storage

2-8 °C

LogP

-0.68200

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

168.0394024 g/mol

Monoisotopic Mass

168.0394024 g/mol

Topological Polar Surface Area

57.5Å²

Heavy Atom Count

Formal Charge

Complexity

165

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

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