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2-(3,5-bis(trifluoroMethyl)phenyl)-2-Methyl propanoic acid

Basic Information

  • CAS Number 289686-70-0
  • Molecular Formula C12H10F6O2
  • Molucular Weight 300.20
  • Package: 500g/bag, 1kg/bag, 5kg/bag, 10kg/bag, 25kg/drum, or as per customer requirements
  • Storage Sealed, dry container at room temperature。
  • Retest Period Two Years

product Description

2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid (CAS No. 289686-70-0, MDL No. MFCD09032572) is a high-value pharmaceutical intermediate with the molecular formula C₁₂H₁₀F₆O₂ and a molecular weight of 300.20 g/mol. It presents as a white to off-white solid and maintains stability when stored in a sealed, dry container at room temperature, facilitating industrial storage and transportation.

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Its key physicochemical properties include a melting point of 105.5-107°C, a predicted density of 1.378±0.06 g/cm³, a predicted pKa of 4.06±0.14, and a LogP value of 4.08640. It is soluble in organic solvents such as ethyl acetate and slightly soluble in water, providing a fundamental basis for its separation, purification, and reaction process design in pharmaceutical synthesis.

As a core pharmaceutical intermediate, it is mainly applied in the synthesis of two key drugs. It serves as an important intermediate for Netupitant, a potent NK1 receptor antagonist widely used in the treatment of chemotherapy-induced nausea and vomiting (CINV), which is usually combined with Palonosetron to enhance antiemetic efficacy. It is also a critical intermediate for Elinzanetant, a dual NK1/NK3 receptor antagonist approved for the treatment of moderate-to-severe vasomotor symptoms associated with menopause. Additionally, it acts as a key structural building block to support the R&D of other NK1/NK3 receptor antagonists, laying a foundation for the development of new drugs for psychiatric disorders such as depression.

product Specification

Item

Unit

Specification

Appearance

 

  white to off-white solid

Solubility

 

soluble in organic solvents such as ethyl acetate and slightly soluble in water

Melting point

105.5-107°C

Other impurities

%

≤0.5 

Related Substances - Total Impurities

%

≤2.0

Main peak purity

%

≥98.0 

Moisture

%

≤0.5

Storage

 

sealed, dry container at room temperature

 

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