TERT-BUTYL N,N-DIALLYLCARBAMATE

The Carbamic acid,N,N-di-2-propen-1-yl-, 1,1-dimethylethyl ester, with the CAS registry number 151259-38-0, is also known as N,N'-Di-2-propenylcarbamicacid 1,1-dimethylethyl ester. It belongs to the product categories of Nitrogen Compounds; Organic Building Blocks; Protected Amines. This chemical's molecular formula is C₁₁H₁₉NO₂ and molecular weight is 197.27. What's more, its IUPAC name is tert-butyl N,N-bis(prop-2-enyl)carbamate.

Physical properties of Carbamic acid,N,N-di-2-propen-1-yl-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 223.86; (6)ACD/BCF (pH 7.4): 223.86; (7)ACD/KOC (pH 5.5): 1673.85; (8)ACD/KOC (pH 7.4): 1673.85; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 57.92 cm³; (15)Molar Volume: 211 cm³; (16)Polarizability: 22.96×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 0.934 g/cm³; (19)Flash Point: 100.6 °C; (20)Enthalpy of Vaporization: 47.97 kJ/mol; (21)Boiling Point: 242.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0334 mmHg at 25°C.

Preparation of Carbamic acid,N,N-di-2-propen-1-yl-, 1,1-dimethylethyl ester: this chemical can be prepared by diallylamine and di-tert-butyl dicarbonate at the ambient temperature at the temperature of 20 °C. This reaction will need solvent cyclohexane with the reaction time of 20 hours. The yield is about 93%.

Uses of Carbamic acid,N,N-di-2-propen-1-yl-, 1,1-dimethylethyl ester: it can be used to produce 2,5-dihydro-pyrrole-1-carboxylic acid tert-butyl ester at the temperature of 20 °C. It will need solvent CH₂Cl₂ with the reaction time of 15 hours. This reaction will also need catalyst Cl₂Ru(PCy₃)₂CHMe. The yield is about 98%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N(CC=C)CC=C
(2)InChI: InChI=1S/C11H19NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h6-7H,1-2,8-9H2,3-5H3
(3)InChIKey: RRIPHUBKNVVTBM-UHFFFAOYSA-N