2,6-Bistrifluoromethyl benzoic acid

CAS: 24821-22-5

Ref. 3D-FB10492

Product Information

• Name: 2,6-Bistrifluoromethyl benzoic acid
• Synonyms: 2,6-Bis(Trifluoromethyl)Benzoate, 2,6-Di(trifluoromethyl)benzoic acid, Benzoic acid, 2,6-bis(trifluoromethyl)-

Description

2,6-Bistrifluoromethyl benzoic acid is a chiral compound that can be detected in urine samples at high concentrations. The compound can be detected by high-performance liquid chromatography (HPLC) after being derivatized with methyl ester. It has been shown to have a dihedral angle of about 180° and an enantiomeric purity of 99%. The efficient method for the synthesis of 2,6-Bistrifluoromethyl benzoic acid is also described. This method involves the use of a template molecule, which is prepared from 1-phenylethyl alcohol and 4-bromobutyraldehyde. The reaction proceeds smoothly using a solvent such as benzene or toluene in the presence of sodium borohydride. After purification, 2,6-Bistrifluoromethyl benzoic acid is obtained in excellent yield and enantiomerically pure

• Brand: Biosynth

Chemical properties

• Molecular weight: 258.12 g/mol
• Formula: C₉H₄F₆O₂
• Purity: Min. 95%
• Color/Form: White To Light (Or Pale) Yellow Solid
• InChI: InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)
• InChI key: InChIKey=XZNLSDPNMNWCRE-UHFFFAOYSA-N
• SMILES: O=C(O)c1c(C(F)(F)F)cccc1C(F)(F)F