{4-[(3-Fluorobenzyl)oxy]phenyl}methanol

Basic Information

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CAS Number

690969-16-5

Molecular Formula

C14H13FO2

Molecular Weight

232.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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c1cc(cc(c1)F)COc2ccc(cc2)CO

InChI

InChI=1S/C14H13FO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8,16H,9-10H2

InChIKey

JTEAJDZCZAAZJA-UHFFFAOYSA-N

LogP

2.8970000000000016

Topological Polar Surface Area

29.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

214

Synonyms & References

English

(4-((3-fluorobenzyl)oxy)phenyl)methanol
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
{4-[(3-fluorobenzyl)oxy]phenyl}methanol
{4-[(3-fluorophenyl)methoxy]phenyl}methanol
Safinamide Impurity 8
[4-(3-fluoro-benzyloxy)-phenyl]-methanol
Z26232578

MDL Number

MFCD03716824

FAQ

What are the physical and chemical properties of {4-[(3-Fluorobenzyl)oxy]phenyl}methanol (CAS: 690969-16-5)?

{4-[(3-Fluorobenzyl)oxy]phenyl}methanol is a white crystalline solid with a molecular weight of approximately 307.24 g/mol. It is soluble in organic solvents such as methanol, ethanol, and acetone but has limited water solubility. This compound is reactive, particularly towards nucleophiles and reducing agents, making it suitable for various chemical transformations. It exhibits a melting point of around 125-127°C and a boiling point of approximately 320°C. The compound is stable under normal conditions but should be handled with care to avoid strong oxidizing agents.

How is {4-[(3-Fluorobenzyl)oxy]phenyl}methanol (CAS: 690969-16-5) typically synthesized?

{4-[(3-Fluorobenzyl)oxy]phenyl}methanol can be synthesized through a multistep process involving the reaction of 4-hydroxybenzaldehyde with 3-fluorobenzyl bromide in the presence of a base like potassium carbonate. The intermediate is then reduced using lithium aluminum hydride (LAH) to form the final product. The overall yield is typically around 75-80%, and the purification is achieved through recrystallization from appropriate solvents. This synthesis involves careful handling of reactive intermediates and requires a controlled environment to ensure selectivity and safety.

What industries use {4-[(3-Fluorobenzyl)oxy]phenyl}methanol (CAS: 690969-16-5)?

{4-[(3-Fluorobenzyl)oxy]phenyl}methanol is used in the pharmaceutical industry for the synthesis of various drugs due to its unique chemical structure. It also finds applications in the semiconductor industry, particularly in the development of organic semiconductors and sensors. The compound is less common in polymer production but can be used as a functional monomer or additive to enhance specific properties. Its use in these industries highlights its importance in advanced chemical and material science.

What precautions should be taken when handling {4-[(3-Fluorobenzyl)oxy]phenyl}methanol (CAS: 690969-16-5)?

Handling {4-[(3-Fluorobenzyl)oxy]phenyl}methanol requires caution due to its chemical reactivity. Wearing personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be handled by carefully neutralizing any reactive components and disposing of the waste according to local regulations. The safety data sheet (SDS) should be consulted for detailed information on handling and storage, ensuring compliance with all safety guidelines.