3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid | CAS No. 849353-56-6

3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid

Basic Information

CAS Number

849353-56-6

Molecular Formula

C12H15FO2

Molecular Weight

210.25 g/mol

AD

Basic Physical Properties

CC1=C(C=C(C=C1)F)C(C)(C)CC(=O)O

InChI

InChI=1S/C12H15FO2/c1-8-4-5-9(13)6-10(8)12(2,3)7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)

InChIKey

DCCLHALCAVPUCC-UHFFFAOYSA-N

LogP

2.88642

Topological Polar Surface Area

37.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

238

Synonyms & References

English

  • FT-0731394
  • SCHEMBL379397
  • EN300-1870932
  • DCCLHALCAVPUCC-UHFFFAOYSA-N
  • 3-(5-fluoro-2-methylphenyl)-3-methylbutanoicacid
  • AKOS017975488
  • A853469
  • 3-(5-fluoro-2-methylphenyl)-3-methylbutanoic acid
  • 849353-56-6
  • 3-(5-fluoro-2-methylphenyl)-3-methylbutyric acid

MDL Number

MFCD20486091

FAQ

What are the physical and chemical properties of 3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid (CAS: 849353-56-6)?

3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid is a solid with a crystalline form. Its molecular weight is approximately 243.2 g/mol. It has a low water solubility, making it suitable for organic synthesis and pharmaceutical applications. The compound is relatively stable in air but may react with strong bases. It is used in the synthesis of pharmaceuticals and other organic compounds.

How is 3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid (CAS: 849353-56-6) typically synthesized?

3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid is synthesized via a multi-step process involving aromatic substitution and acylation reactions. Commonly, the synthesis involves the preparation of the aromatic substrate, followed by acylation with a carboxylic acid chloride or anhydride. The yield is typically around 70-80%, and the reaction is carried out under mild conditions using appropriate catalysts.

What industries use 3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid (CAS: 849353-56-6)?

3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid is used in the pharmaceutical industry for the synthesis of drug intermediates. It is also applied in polymer synthesis and as a precursor in the development of sensors and semiconductors. Its versatility and specific functional groups make it valuable in these industries.

What precautions should be taken when handling 3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid (CAS: 849353-56-6)?

When handling 3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a fume hood to minimize potential inhalation risks. In case of a spill, it is recommended to contain the spill and dispose of it according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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