3-(3-Fluorobenzyl)-4-[(3-fluorobenzyl)oxy]benzaldehyde

Basic Information

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CAS Number

1000370-24-0

Molecular Formula

C21H16F2O2

Molecular Weight

338.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Solubility

Insuluble (1.2E-4 g/L) (25 ºC),

SMILES

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O=Cc1ccc(c(c1)Cc1cccc(c1)F)OCc1cccc(c1)F

InChI

InChI=1S/C21H16F2O2/c22-19-5-1-3-15(11-19)9-18-10-16(13-24)7-8-21(18)25-14-17-4-2-6-20(23)12-17/h1-8,10-13H,9,14H2

InChIKey

VIFRWCOSLMTDSZ-UHFFFAOYSA-N

LogP

4.947100000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

3-(3-Fluorobenzyl)-4-((3-fluorobenzyl)oxy)benzaldehyde
3-(3-fluorobenzyl)-4-(3-fluoro-benzyloxy)benzaldehyde
4-[(3-Fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]benzaldehyde
Safinamide Impurity 2
3-(3-fluorobenzyl)-4-((3-fluorobenzyl)oxy)benzaldehyde

MDL Number

MFCD28502380

FAQ

What are the physical and chemical properties of 3-(3-Fluorobenzyl)-4-[(3-fluorobenzyl)oxy]benzaldehyde (CAS: 1000370-24-0)?

3-(3-Fluorobenzyl)-4-[(3-fluorobenzyl)oxy]benzaldehyde is a crystalline compound with a molecular weight of approximately 378.38 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is reactive towards nucleophiles and electrophiles. It can undergo reactions such as hydrolysis and alkylation under specific conditions.

How is 3-(3-Fluorobenzyl)-4-[(3-fluorobenzyl)oxy]benzaldehyde (CAS: 1000370-24-0) typically synthesized?

3-(3-Fluorobenzyl)-4-[(3-fluorobenzyl)oxy]benzaldehyde is typically synthesized through a multi-step process involving the coupling of benzaldehyde and 3-fluorobenzyl bromide. The reaction is typically catalyzed by a phase-transfer catalyst, and the product can be isolated by recrystallization from an appropriate solvent. The yield of the reaction is around 70-75%.

What industries use 3-(3-Fluorobenzyl)-4-[(3-fluorobenzyl)oxy]benzaldehyde (CAS: 1000370-24-0)?

3-(3-Fluorobenzyl)-4-[(3-fluorobenzyl)oxy]benzaldehyde is used in the pharmaceutical industry for the synthesis of various drug molecules. It is also utilized in the production of organic semiconductors and sensors. Its reactivity towards nucleophiles and electrophiles makes it a valuable intermediate in organic synthesis.

What precautions should be taken when handling 3-(3-Fluorobenzyl)-4-[(3-fluorobenzyl)oxy]benzaldehyde (CAS: 1000370-24-0)?

When handling 3-(3-Fluorobenzyl)-4-[(3-fluorobenzyl)oxy]benzaldehyde, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be cleaned up using paper towels and disposed of according to local regulations. Always consult a safety data sheet (SDS) for detailed handling and disposal information.