Tricyclo[3.3.1.13,7]decane,1-iodo-

The Tricyclo[3.3.1.13,7]decane,1-iodo- is an organic compound with the formula C₁₀H₁₅I. The systematic name of this chemical is 1-iodotricyclo[3.3.1.1~3,7~]decane. With the CAS registry number 768-93-4, it is also named as 1-Adamantyl iodide. The product's categories are Adamantane Derivatives; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. Besides, it should be stored in a dark cool and well-ventilated place.

Physical properties about Tricyclo[3.3.1.13,7]decane,1-iodo- are: (1)ACD/LogP: 4.38; (2)ACD/LogD (pH 5.5): 4.38; (3)ACD/LogD (pH 7.4): 4.38; (4)ACD/BCF (pH 5.5): 1254.8; (5)ACD/BCF (pH 7.4): 1254.8; (6)ACD/KOC (pH 5.5): 5748.55; (7)ACD/KOC (pH 7.4): 5748.55; (8)Index of Refraction: 1.605; (9)Molar Refractivity: 55.08 cm³; (10)Molar Volume: 159.8 cm³; (11)Polarizability: 21.83×10^-24cm³; (12)Surface Tension: 42.3 dyne/cm; (13)Density: 1.63 g/cm³; (14)Flash Point: 115.9 °C; (15)Enthalpy of Vaporization: 48.33 kJ/mol; (16)Boiling Point: 265.7 °C at 760 mmHg; (17)Vapour Pressure: 0.0148 mmHg at 25°C.

Uses of Tricyclo[3.3.1.13,7]decane,1-iodo-: it can be used to produce N-(1-adamantylpropyl)-O-benzylhydroxylamine at temperature of 25 °C. This reaction is a kind of Addition. It will need reagent Bu₃SnH, Et₃B, BF₃*OEt₂, and solvent CH₂Cl₂, hexane with reaction time of 10 min. The yield is about 41%.

You can still convert the following datas into molecular structure:
(1)SMILES: IC13CC2CC(CC(C1)C2)C3
(2)InChI: InChI=1/C10H15I/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
(3)InChIKey: PXVOATXCSSPUEM-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H15I/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
(5)Std. InChIKey: PXVOATXCSSPUEM-UHFFFAOYSA-N