Description

(4S)-2-[2-[Bis[4-(Trifluoromethyl)Phenyl]Phosphino]-5-(Trifluoromethyl)Phenyl]-4-tert-Butyl-4,5-Dihydrooxazole is a high-value, chiral phosphine-oxazoline (PHOX) ligand, a critical component in asymmetric catalysis. Its structure, featuring electron-withdrawing trifluoromethyl groups and a bulky tert-butyl substituent, provides exceptional stereocontrol and stability for demanding transition metal-catalyzed reactions. This ligand is essential for researchers and process chemists in the pharmaceutical and fine chemical industries developing enantiomerically pure active pharmaceutical ingredients (APIs) and advanced intermediates.

Application

• As a chiral ligand in asymmetric hydrogenation reactions for the synthesis of chiral amines, amino acids, and alcohols.
• As a key component in asymmetric C-C bond-forming reactions, including cross-couplings and allylic substitutions.
• For the development of enantioselective catalytic processes in pharmaceutical research and development.
• In the synthesis of high-value fine chemicals and advanced organic intermediates requiring high enantiomeric excess (ee).
• As a catalyst modifier in academic and industrial research focused on organometallic chemistry and catalysis.
• For process optimization and scale-up of asymmetric synthetic routes in GMP and non-GMP manufacturing environments.

Basic Information

Product Name	(4S)-2-[2-[Bis[4-(Trifluoromethyl)Phenyl]Phosphino]-5-(Trifluoromethyl)Phenyl]-4-tert-Butyl-4,5-Dihydrooxazole
CAS No.	944836-22-0
Molecular Formula	C34H27F9NOP
Molecular Weight	667.55 g/mol
Synonyms	(S)-t-Bu-PHOX; (S)-4-tert-Butyl-2-[2-(bis[4-(trifluoromethyl)phenyl]phosphino)phenyl]-4,5-dihydrooxazole; (S)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]phenyl]-4-(tert-butyl)-4,5-dihydrooxazole; (S)-tBu-PHOX Ligand; (S)-PHOX Ligand with CF3 groups; (4S)-4-(tert-Butyl)-2-[2-[bis[4-(trifluoromethyl)phenyl]phosphanyl]phenyl]-4,5-dihydro-1,3-oxazole; Chiral PHOX Ligand
EINECS	Contact for details

Quality Control

Our high-purity chiral ligands are manufactured under strict quality control protocols to ensure batch-to-batch consistency and performance. Each lot is characterized by NMR (1H, 13C, 31P), HPLC for purity, and specific rotation measurement to confirm enantiomeric integrity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (argon or nitrogen) at 2-8°C in a dry, cool environment. This compound is easily oxidized and light-sensitive; prolonged exposure to air, moisture, or light should be avoided to maintain stability and performance.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Specific Rotation [α]	Contact for details
Moisture Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.