[4-(Benzyloxy)-3-fluorophenyl]boronic acid

Basic Information

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CAS Number

133057-83-7

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

White to Yellow Solid

Melting Point

116-117 ºC

Boiling Point

428.0±55.0 °C at 760 mmHg

Density

1.2600

Flash Point

212.6±31.5 °C

Refractive Index

1.577

SMILES

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B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)F)(O)O

InChI

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

InChIKey

DQPDLDQJMUGVGI-UHFFFAOYSA-N

LogP

1.0845

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

Synonyms & References

English

4-benzyloxy-3-fluoro-phenylboronic acid
FT-0617653
Boronic acid, [3-fluoro-4-(phenylmethoxy)phenyl]-
4-benzyloxy-3-fluoro phenylboronic acid
4-Benzyloxy-3-fluorophenylboronic acid
4-benzyloxy-3-fluorophenyl boronic acid
[4-(benzyloxy)-3-fluorophenyl]boronic acid
4-benzyloxy-3-fluorobenzeneboronic acid
{3-fluoro-4-[(phenylmethyl)oxy]phenyl}boronic acid
DQPDLDQJMUGVGI-UHFFFAOYSA-N
PS-9614
4-Benzyloxy-3-fluorophenylboronicacid
4-benzyloxy-3-fluorophenylboronic acid, AldrichCPR
(4-(benzyloxy)-3-fluorophenyl)boronic acid
4-(Benzyloxy)-3-fluorophenylboronic acid
(4-benzyloxy-3-fluorophenyl)boronic acid
Q-102196
Boronic acid, B-[3-fluoro-4-(phenylmethoxy)phenyl]-
AC-31004
B4639
MFCD00994627
AKOS004116073
CS-W010242
SCHEMBL212034
(3-Fluoro-4-benzyloxyphenyl)boronic acid
(3-fluoro-4-phenylmethoxyphenyl)boronic acid
DTXSID90372243
133057-83-7
SY050244
4-Benzyloxy-3-fluorophenylboronic Acid (contains varying amounts of Anhydride)
4-(benzyloxy)-3-fluorophenylboronic acid

MDL Number

MFCD00994627

Customs Code

2931900090

FAQ

What are the physical and chemical properties of [4-(Benzyloxy)-3-fluorophenyl]boronic acid (CAS: 133057-83-7)?

[4-(Benzyloxy)-3-fluorophenyl]boronic acid is a white or off-white crystalline solid with a molecular weight of approximately 299.22 g/mol. It has a solubility in water of less than 1 g/L at 25°C. This compound is reactive towards acidic conditions and can undergo various chemical transformations, including coupling reactions and esterification.

How is [4-(Benzyloxy)-3-fluorophenyl]boronic acid (CAS: 133057-83-7) typically synthesized?

[4-(Benzyloxy)-3-fluorophenyl]boronic acid is usually synthesized by the reaction of 3-fluorobenzoic acid with phenyl boronic acid in the presence of a base such as sodium carbonate, using a suitable solvent like methanol or ethanol. The reaction typically occurs at elevated temperatures and yields up to 90% of the product, with good selectivity towards the boronic ester.

What industries use [4-(Benzyloxy)-3-fluorophenyl]boronic acid (CAS: 133057-83-7)?

[4-(Benzyloxy)-3-fluorophenyl]boronic acid finds applications in the pharmaceutical industry as a precursor in the synthesis of complex molecules and in organic synthesis. It is also utilized in the polymer industry for the preparation of functional polymers and in the development of sensing materials for various applications.

What precautions should be taken when handling [4-(Benzyloxy)-3-fluorophenyl]boronic acid (CAS: 133057-83-7)?

When handling [4-(Benzyloxy)-3-fluorophenyl]boronic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. Spills should be thoroughly cleaned up using appropriate chemical spill kits, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.