2-(4-Fluorophenyl)-1,3-oxazole

Basic Information

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CAS Number

885268-39-3

Molecular Formula

C9H6FNO

Molecular Weight

163.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Liquid

SMILES

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C1=CC(=CC=C1C2=NC=CO2)F

InChI

InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H

InChIKey

VIWONCNRYPUJLL-UHFFFAOYSA-N

LogP

2.4807000000000006

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

146

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

MFCD08234435
AM85944
VIWONCNRYPUJLL-UHFFFAOYSA-N
885268-39-3
SCHEMBL12578887
AKOS006285993
2-(4-FLUOROPHENYL)-1,3-OXAZOLE
MB05428
AS-37807
2-(4-FLUOROPHENYL)OXAZOLE
FT-0691235
CS-0200177
DTXSID20610286
2-(4-Fluorophenyl)oxazole
2-(4-fluorophenyl)-1,3-oxazole
Oxazole,2-(4-fluorophenyl)-

MDL Number

MFCD08234435

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(4-Fluorophenyl)-1,3-oxazole (CAS: 885268-39-3)?

2-(4-Fluorophenyl)-1,3-oxazole (CAS: 885268-39-3) is a colorless crystalline solid with a molecular weight of approximately 181.14 g/mol. It has a low solubility in water (0.013 g/100 mL at 25°C) but is more soluble in organic solvents like ethanol and acetonitrile. This compound exhibits good stability under normal conditions but is reactive towards strong acids and bases. It can be used in the synthesis of various pharmaceutical intermediates and other organic compounds.

How is 2-(4-Fluorophenyl)-1,3-oxazole (CAS: 885268-39-3) typically synthesized?

2-(4-Fluorophenyl)-1,3-oxazole can be synthesized via a multistep process, often starting with 4-fluorophenyl isothiocyanate and then reacting it with an appropriate aldehyde or ketone in the presence of a base. Common methods include the Wittig reaction or the Pinnick oxidation. The yield is generally around 65-80%, and the reaction is highly selective, making it an efficient route for the compound's synthesis.

What industries use 2-(4-Fluorophenyl)-1,3-oxazole (CAS: 885268-39-3)?

2-(4-Fluorophenyl)-1,3-oxazole (CAS: 885268-39-3) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs, particularly those targeting inflammatory and autoimmune diseases. It also finds applications in the production of certain dyes and in the development of sensors for detecting organic compounds. Its use in semiconductor manufacturing is limited but is explored for specific applications requiring organic materials.

What precautions should be taken when handling 2-(4-Fluorophenyl)-1,3-oxazole (CAS: 885268-39-3)?

Handling 2-(4-Fluorophenyl)-1,3-oxazole (CAS: 885268-39-3) requires caution due to its reactivity towards strong acids and bases. Protective equipment such as gloves, goggles, and lab coat should always be worn. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. In the case of a spill, immediately clean up with appropriate absorbent material and dispose of it according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.