CAS 127852-28-2

(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol

Description:

(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol, identified by its CAS number 127852-28-2, is a chemical compound characterized by its unique structure, which includes a benzene ring substituted with two trifluoromethyl groups and a hydroxymethyl group. The presence of the trifluoromethyl groups significantly influences its chemical properties, imparting high lipophilicity and altering its reactivity compared to non-fluorinated analogs. This compound is likely to exhibit strong intermolecular interactions due to the electronegative fluorine atoms, which can enhance its stability and solubility in organic solvents. Additionally, the stereochemistry indicated by the (αR) configuration suggests that the compound may exhibit specific optical activity, which can be relevant in applications such as pharmaceuticals or agrochemicals. Overall, the combination of its functional groups and stereochemistry makes (αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol a compound of interest in various chemical research and industrial applications.

Formula: C₁₀H₈F₆O

InChI: InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m1/s1

InChI key: InChIKey=MMSCIQKQJVBPIR-RXMQYKEDSA-N

SMILES: C(F)(F)(F)C1=CC(C(F)(F)F)=CC([C@@H](C)O)=C1

Synonyms:

• (1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol
• (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
• (R)-1-(3,5-Bis(Trifluoromethyl)Phenyl)Ethan-1-Ol
• (R)-1-(3,5-Bis-trifluoromethylphenyl)ethanol
• (R)-1-3,5-Bis(trifluoromethyl) phenylethanol
• (R)-1-[3,5-Bis(Trifluoro-Methyl)-Phenyl]Ethanol
• (R)-1-[Bis-3,5-(Trifluoromethyl)Phenyl]Ethanol
• (R)-[3,5-Bis(trifluoromethyl)phenyl]ethanol
• (R)-bis-3,5-trifluoromethyl-1-phenylethanol
• (αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
• 1-[3,5-Bis(Trifluoromethyl)Phenyl]Ethanol
• 1R)-1-[3,6-Bis(Trifluoromethyl)Phenyl]Ethanol
• Aprepitant Intermediate
• Benzenemethanol, A-Methyl-3,5-Bis(Trifluoromethyl)-, (Ar)-
• Benzenemethanol,a-methyl-3,5-bis(trifluoromethyl)-,(R)-
• R-Mbt-Pel

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

CAS: 127852-28-2

Formula: C₁₀H₈F₆O

Purity: >98.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 258.16

Ref: 3B-B4131

Benzenemethanol, α-methyl-3,5-bis(trifluoromethyl)-, (αR)-

CAS: 127852-28-2

Formula: C₁₀H₈F₆O

Purity: 98%

Color and Shape: Solid

Molecular weight: 258.1603

Ref: IN-DA000XGX

(1R)-(+)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol

CAS: 127852-28-2

(1R)-(+)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol

Formula: C₁₀H₈F₆O

Purity: ≥95%

Color and Shape: white crystalline solid

Molecular weight: 258.16g/mol

Ref: 54-PC0580

Fosaprepitant Impurity 25

CAS: 127852-28-2

Formula: C₁₀H₈F₆O

Molecular weight: 258.16

Ref: 4Z-F-3633

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol

CAS: 127852-28-2

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol is a triazolinone that has been shown to be an efficient contactor for the removal of organic pollutants from water. It is activated by potassium t-butoxide and immobilized on silicone gels. This compound is also active against a broad range of bacteria and fungi.

Formula: C₁₀H₈F₆O

Purity: Min. 98%

Color and Shape: White Powder

Molecular weight: 258.16 g/mol

Ref: 3D-FB43523

(R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethanol

CAS: 127852-28-2

Formula: C₁₀H₈F₆O

Purity: 98%

Color and Shape: Solid

Molecular weight: 258.163

Ref: 10-F040986

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol

Controlled Product

CAS: 127852-28-2

Applications (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is an intermediate in the synthesis of Aprepitant (A729800), a novel selective neurokinin-1 (NK-1) receptor antagonist. In vitro studies using human liver microsomes indicate that Aprepitant is metabolised primarily by CYP3A4 with minor metabolism by CYP1A2 and CYP2C19, and no metabolism by CYP2D6, CYP2C9, or CYP2E1. Antiemetic.
References Vankawala, P.J., et. al.: Synthetic Comm., 37, 3439 (2007); Hale, J.J., et al.: J. Med. Chem., 41, 4607 (1998); Campos, D., et al.: J. Clin. Oncol., 19, 1759 (2001); Van Belle, S., et al.: Cancer, 94, 3032 (2002); Majumdar, A.K., et al.: J. Clin. Pharmacol., 46, 291 (2006)

Formula: C₁₀H₈F₆O

Color and Shape: Neat

Molecular weight: 258.16

Ref: TR-B416125

Aprepitant Impurity 15

CAS: 127852-28-2

Formula: C₁₀H₈F₆O

Molecular weight: 258.16

Ref: ST-EA-CP-A109041