BIS(DIPHENYLPHOSPHINO)ACETYLENE

The CAS register number of Phosphine,1,1'-(1,2-ethynediyl)bis[1,1-diphenyl- is 5112-95-8. It also can be called as Bis(diphenylphosphino)acetylene and the systematic name about this chemical is ethyne-1,2-diylbis(diphenylphosphane). The molecular formula about this chemical is C₂₆H₂₀P₂ and the molecular weight is 394.38. It belongs to the following product categories which include Ligand; Catalysis and Inorganic Chemistry; Phosphorus Compounds; Polydentate Phosphine Ligands and so on.

Physical properties about Phosphine,1,1'-(1,2-ethynediyl)bis[1,1-diphenyl- are: (1)ACD/LogP: 10.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.34; (4)ACD/LogD (pH 7.4): 10.34; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 27.18 Å²; (11)Flash Point: 291.4 °C; (12)Enthalpy of Vaporization: 77.45 kJ/mol; (13)Boiling Point: 529.6 °C at 760 mmHg; (14)Vapour Pressure: 9.04E-11 mmHg at 25 °C.

Preparation: this chemical can be prepared by diphenylphosphinous acid chloride and ethyne. This reaction will need reagent of BuLi and solvents of tetrahydrofuran, hexane. The reaction time is 25 min with reflux. The yield is about 30%.

Uses of Phosphine,1,1'-(1,2-ethynediyl)bis[1,1-diphenyl-: it can be used to produce 1,1,2-Tris(diphenylphosphino)ethen with diphenylphosphane. This reaction will need reagent of tBuOK and solvent of toluene. The reaction time is 24 hours with reaction temperature of 70 °C. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye and face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store this chemical, keep the container sealed in dry and cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#CP(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H
(3)InChIKey: FOWZHJNBFVLJGP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H
(5)Std. InChIKey: FOWZHJNBFVLJGP-UHFFFAOYSA-N