Carbamicacid, N-(triphenylphosphoranylidene)-, 1,1-dimethylethyl ester (68014-21-1)

The CAS register number of Carbamicacid, N-(triphenylphosphoranylidene)-, 1,1-dimethylethyl ester is 68014-21-1. It also can be called as tert-Butoxycarbonylaminotriphenylphosphine and the IUPAC name about this chemical is tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate. The molecular formula about this chemical is C₂₃H₂₄NO₂P and the molecular weight is 377.415921.

Physical properties about Carbamicacid, N-(triphenylphosphoranylidene)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 48.47Ų; (6)Index of Refraction: 1.561; (7)Molar Refractivity: 113.02 cm³; (8)Molar Volume: 348.8 cm³; (9)Polarizability: 44.8x10^-24cm³; (10)Surface Tension: 41.8 dyne/cm; (11)Enthalpy of Vaporization: 75.86 kJ/mol; (12)Boiling Point: 491.8 °C at 760 mmHg; (13)Vapour Pressure: 8.13E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by triphenylphosphane and carbonazidic acid tert-butyl ester. This reaction will need solvent diethyl ether. The yield is about 92 %.

Uses of Carbamicacid, N-(triphenylphosphoranylidene)-, 1,1-dimethylethyl ester: it can be used to produce (2,2,2-trichloro-ethylidene)-carbamic acid tert-butyl ester with trichloroacetaldehyde at heating. This reaction will need reagent bromine and solvent toluene with reaction time of 1 hour(s). The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N=P(c1ccccc1)(c2ccccc2)c3ccccc3)OC(C)(C)C
(2)InChI: InChI=1/C23H24NO2P/c1-23(2,3)26-22(25)24-27(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
(3)InChIKey: KNXPVXCUELYHDM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C23H24NO2P/c1-23(2,3)26-22(25)24-27(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
(5)Std. InChIKey: KNXPVXCUELYHDM-UHFFFAOYSA-N