[2-(Benzyloxy)-4-fluorophenyl]boronic acid

Basic Information

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CAS Number

848779-87-3

Molecular Formula

C13H12BFO3

Molecular Weight

246.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

110-116℃

Boiling Point

409.6±55.0 °C at 760 mmHg

Flash Point

201.5±31.5 °C

SMILES

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Fc1ccc(c(c1)OCc1ccccc1)B(O)O

InChI

InChI=1S/C13H12BFO3/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2

InChIKey

IFPQNCKVOQKEIU-UHFFFAOYSA-N

LogP

1.0844999999999998

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

246

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Class CORROSIVE Class CORROSIVE

Synonyms & References

English

2-Benzyloxy-4-fluorophenylboronic acid
2-Benzyloxy-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)
(2-(Benzyloxy)-4-fluorophenyl)boronic acid
(4-fluoro-2-phenylmethoxyphenyl)boronic acid
[2-(benzyloxy)-4-fluorophenyl]boronic acid
Boronic acid,B-[4-fluoro-2-(phenylmethoxy)phenyl]-
2-Benzyloxy-4-fluorobenzeneboronic acid
2-Benzyloxy-4-fluorobenzeneboronic Acid (contains varying amounts of Anhydride)
2-(benzyloxy)-4-fluorophenylboronic acid
Boronic acid, [4-fluoro-2-(phenylmethoxy)phenyl]-
PubChem5321
IFPQNCKVOQKEIU-UHFFFAOYSA-N
EBD36404
2-(Benzyloxy)-4-fluorophenylboronic Acid

MDL Number

MFCD03788402

Customs Code

29310095

FAQ

What are the physical and chemical properties of [2-(Benzyloxy)-4-fluorophenyl]boronic acid (CAS: 848779-87-3)?

[2-(Benzyloxy)-4-fluorophenyl]boronic acid (CAS: 848779-87-3) is a white crystalline solid with a molecular weight of approximately 295.22 g/mol. It has low solubility in water (0.01 g/100 mL at 25°C) but is more soluble in organic solvents such as dichloromethane and methanol. Chemically, it is a boronic acid derivative and is known for its reactivity in nucleophilic aromatic substitution reactions and its ability to form stable complexes with transition metals.

How is [2-(Benzyloxy)-4-fluorophenyl]boronic acid (CAS: 848779-87-3) typically synthesized?

[2-(Benzyloxy)-4-fluorophenyl]boronic acid (CAS: 848779-87-3) is commonly synthesized through a multistep process involving the formation of a benzylic ether followed by the introduction of a fluoro group and the subsequent conversion to boronic acid. This typically involves the use of reagents such as benzyl alcohol, fluoroacetic acid, and boron reagents like sodium or potassium borohydride. The reaction conditions usually require temperature control and the use of appropriate solvents to ensure high yield and selectivity.

What industries use [2-(Benzyloxy)-4-fluorophenyl]boronic acid (CAS: 848779-87-3)?

[2-(Benzyloxy)-4-fluorophenyl]boronic acid (CAS: 848779-87-3) is primarily used in the pharmaceutical industry for the synthesis of drug precursors and intermediates, as well as in the polymer industry for the development of advanced materials. It also finds applications in the field of sensors for its unique chemical reactivity and in semiconductor manufacturing due to its stability and reactivity.

What precautions should be taken when handling [2-(Benzyloxy)-4-fluorophenyl]boronic acid (CAS: 848779-87-3)?

When handling [2-(Benzyloxy)-4-fluorophenyl]boronic acid (CAS: 848779-87-3), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure to dust and vapors. Spills should be handled with caution, using appropriate absorbents and disposing of waste according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.