(4-BROMOBENZYL)DIMETHYLAMINE

The Benzenemethanamine, 4-bromo-N, N-dimethyl-, with the CAS registry number of 6274-57-3, is also known as (4-Bromobenzyl)dimethylamine and 4-(N, N-Dimethylaminomethyl)bromobenzene. It belongs to the product categories of Halogenated; Aryl; Organohalides. This chemical's molecular formula is C₉H₁₂BrN and molecular weight is 214.1. What's more, its IUPAC name is 1-(4-Bromophenyl)-N, N-dimethylmethanamine.

Physical properties about Benzenemethanamine, 4-bromo-N, N-dimethyl- are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å²; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 51.84 cm³; (9)Molar Volume: 162.1 cm³; (10)Polarizability: 20.55×10^-24 cm³; (11)Surface Tension: 36.9 dyne/cm; (12)Density: 1.32 g/cm³; (13)Flash Point: 91.1 °C; (14)Enthalpy of Vaporization: 45.6 kJ/mol; (15)Boiling Point: 219.6 °C at 760 mmHg; (16)Vapour Pressure: 0.118 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Dimethylamine with 1-Bromo-4-bromomethyl-benzene. This reaction needs reagent Hydrogen and catalyst Palladium on Carbon. Meanwhile, it needs solvents H₂O and Ethanol. The yield is about 70 %. This reaction needs two steps, the reaction conditions are 1.) 1 hour; 2.) heating, 30 minutes.

Uses: it is used to produce other chemicals. For example, it is used to produce Dimethyl-{4-[tris-(4-dimethylaminomethyl-phenyl)-silanyl]-benzyl}-amine. This reaction needs reagents t-BuLi and SiCl₄. Meanwhile, it needs solvents Tetrahydrofuran and Pentane. This reaction needs two steps, the reaction conditions are 1.) 10 minutes, -78 °C; 2.) 19 hours, 20 °C. The yield is about 47 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)CN(C)C
(2) InChI: InChI=1/C9H12BrN/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
(3) InChIKey: RFEDQTSVZVRTGH-UHFFFAOYAR