1,3-DIALLYLUREA

The Urea,N,N'-di-2-propen-1-yl- is an organic compound with the formula C₇H₁₂N₂O. The IUPAC name of this chemical is 1,3-bis(prop-2-enyl)urea. With the CAS registry number 1801-72-5, it is also named as Urea, N,N'-di-2-propenyl-. The product's categories are Carbonyl Compounds; Organic Building Blocks; Ureas. Besides, it should be stored in a closed cool and dry place.

Physical properties about Urea,N,N'-di-2-propen-1-yl- are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 2.09; (5)ACD/BCF (pH 7.4): 2.09; (6)ACD/KOC (pH 5.5): 58.93; (7)ACD/KOC (pH 7.4): 58.93; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 23.55 Å²; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 41.14 cm³; (14)Molar Volume: 149 cm³; (15)Polarizability: 16.31×10^-24cm³; (16)Surface Tension: 30.3 dyne/cm; (17)Density: 0.94 g/cm³; (18)Flash Point: 129.6 °C; (19)Enthalpy of Vaporization: 52.44 kJ/mol; (20)Boiling Point: 285.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00282 mmHg at 25°C.

Preparation of Urea,N,N'-di-2-propen-1-yl-: this chemical can be prepared by allylamine and carbon dioxide. This reaction will need catalysts Ph₃SbO, P₄S₁₀ and solvent benzene. The reaction time is 12 hours with reaction temperature of 80 °C. The yield is about 62%.

Uses of Urea,N,N'-di-2-propen-1-yl-: it can be used to produce 1,3-diallyl-3α,8α-dihydroxy-1,3,3α,8α-tetrahydro-indeno[1,2-d]imidazole-2,8-dione at temperature of 50 - 60 °C. It will need reagent solvent H₂O. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC/C=C)NC\C=C
(2)InChI: InChI=1/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)
(3)InChIKey: QRWVOJLTHSRPOA-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)
(5)Std. InChIKey: QRWVOJLTHSRPOA-UHFFFAOYSA-N