791616-62-1

791616-62-1 - Names and Identifiers

Name	(R)-3,3'-BIS(3,5-BIS(TRIFLUOROMETHYL)PHE
Synonyms	(R)-3,3'-BIS(3,5-BIS(TRIFLUOROMETHYL)PHE (R)-3,3''-BIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-1,1''-BINAPH-2,2''-DIYL HYDRPHOS
CAS	791616-62-1
InChIKey	DQORDVSQWPKAQJ-UHFFFAOYSA-N

791616-62-1 - Physico-chemical Properties

Molecular Formula	C36H17F12O4P
Molar Mass	772.476
Density	1.63±0.1 g/cm3(Predicted)
Melting Point	162-175 °C
Boling Point	722.1±70.0 °C(Predicted)
Appearance	Form Powder, color white to light-yellow
pKa	1.09±0.20(Predicted)
Storage Condition	2-8°C
Use	Application (R)-3,3 '-bis (3,5-bis-trifluoromethoxyphenyl)-1,1'-bio-(2-naphthol) phosphate is a chiral binaphthol-phosphate derivative, which can be used as a catalyst for asymmetric Mannich-type reactions, asymmetric hydrophosphorylation reactions and asymmetric azadir reactions.

791616-62-1 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany	3
HS Code	29319090

791616-62-1 - Preparation

Add (R)-3,3 '-bis (3,5-bis-trifluoromethoxyphenyl)-1,1'-bie-(2-naphthol)(1.91mmol) and pyridine (7.8mmol) to the two-necked egga-shaped flask, and add phosphoryl chloride (2.69mmol) dropwise to it for 7 minutes at room temperature, and then stir for 2 hours. Then heat reflux for 1 hour. The reaction solution is cooled to room temperature, distilled water (1.6ml) is added dropwise, and heated and refluxed for 1.5 hours. Subsequently, it was cooled to room temperature, subjected to reduced-pressure distillation to remove pyridine, and 6M hydrochloric acid (15ml) was added dropwise, and then heated and refluxed for 2 hours. The reaction liquid is cooled to 0°C, filtered, washed with water and dried. Recrystallization with dichloromethane/n-hexane, but the obtained crude product still contains impurities. Thus, it was dissolved in ethanol and reprecipitated with 6 equivalents of hydrochloric acid to give (R)-3,3 '-bis (3,5-bis-trifluoromethoxyphenyl)-1,1'-bie-(2-naphthol) phosphate (0.9g,1.14mM,73%).

Last Update：2024-04-10 22:29:15