Toluene reaction profiles

The hydrogenation of toluene, aniline, /r-toluidine, and 4-tert-butylaniline was examined over catalyst M1273. The reaction profile for the reactions is shown in Figure 2. From this it can be seen that the order of reactivity is aniline > toluene > /Moluidinc > 4-fer f-butylaniline. The hydrogenation products were methylcyclohexane from toluene, cyclohexylamine from aniline, 4-methyl-cyclohexylamine (4-MCYA) from /Holuidine. and 4-feri-butylcyclohexylamine (4-tBuCYA) from 4-tert-butylaniline. At 50 % conversion the cis trans ratio of 4-MCYA was 2, while tBuCYA it was 1.6. 

Fig. 2.1.2.1 Reaction profile of the phenylzinc addition to p-chlorobenzaldehyde 37a, as determined by FT-IR. Curve A ZnPh2 (0.65 equiv), ZnEt2 (1.3 equiv), toluene, rt. Curve B ZnPh2 (1.50 equiv), toluene, rt.

Di-n-butyltin catalysts are being used in the preparation of polyurethane foams. Most polyurethane foams utilize aromatic isocyanates such as toluene diisocyanate (TDI) or diphenylmethane diisocyanate (MDI) as the isocyanate, and a polyester or polyether polyols as the coreactant. Tertiary amine catalysts are used to accelerate the reaction with water and formation of the carbon dioxide blowing agent. To achieve a controlled rate of reaction with the polyol, an organotin catalyst can be used. Polyurethane foams are not only applied in place, but are also cast in a factory as slabstocks. These foam slabs are then cut for use in car seats, mattresses, or home furnishings. DBTDL is an excellent catalyst in high resiliency slabstock foams. DBTDL shows an excellent reaction profile for this application replacement for DBTDL in such an end-use is difficult and requires a substantial reformulation of the foam. 

Figure 9.16 Reaction profile (points) of the on-chip derivatization of propyl isocyanate (11) ( ),benzyl isocyanate (12) (A) and toluene-2,4-disocyanate (13) ( ) with NBDPZ and corresponding fits to a second-order kinetics model (lines).

Figure 7.6. Reaction profile in toluene solution, 300 K. Overall thermochemistry for Eq. (7.24) AH° — 5 kcal/mol AS° = 20 cal/moldeg AG° = —11 kcal/mol.

Fig. 22 Influence of the counter-ion on the site epimerization reaction profile in the gas phase and in toluene solution. The anions studied are MeB(C6p5)3 , FAl (Bi )3 (Marks anion), and a model for MAO-Me . Energies are relative to the respective parent ion pairs plus propylene of system 2. Plot shows relative energy (in kcal/mol) versus anion-Zr distance (in A). COSMO (etmductor-like screening model) relates to calculation in the solution phase, toluene [146]...

Zink et al. used a blend of polystyrene (hPS) and its deuterated counterpart (dPS), both of molecular weight 1.95 x 106 (abbreviated 1.95 M). The average volume fraction (4>dPS) of deuterated polystyrene was 30%. The polymers were dissolved in toluene and spin cast on thin silicon wafers (about 10 x 10 mm), the resulting film thickness being about 300 nm. The samples were annealed at 245°C for 8 days, and the measurement of the resulting depth profiles was conducted by NRA using a monoenergetic 700 keV 3He beam. The nuclear reaction employed can be written ... 

A reconstructed ion chromatogram (GC-MS) containing extractable contaminants isolated from a typical lot of foam is shown in Figure 4. The qualitative composition of the extractable contaminants was provided by GC-MS. Contaminant profiles were identical for each of the two solvent systems employed, methylene chloride (1003 ) and ethyl ether/hexane (5/95). The contaminant chemistry shown here and again in Figure 5 in several instances is consistent with the manufacturing process data shown in the box, most notably the presence of residual toluene diisocyanate (starting materials, see Scheme II) and an aliphatic amine (possible reaction catalyst). 

A BINOL-dimethylaminopyridine hybrid was seen to be efficient in mediating the MBH reaction (Table 5.14) [96], with optimal reaction conditions being found as —15 °C with a mixed solvent system consisting of toluene and cyclopentyl methyl ether (CPME) in a 1 9 ratio. The reaction was sensitive to the structure of the catalyst 112, the position of the Lewis base attached to BINOL, the substitution pattern of the amino group, and the length of the spacer. It should be noted that the bulky i-Pr substituent on the amino group showed the best selectivity and kinetic profile (Table 5.14, entry 5) [98]. (For experimental details see Chapter 14.10.4). 

A dynamic experimental method for the investigation of the behaviour of a nonisothermal-nonadiabatic fixed bed reactor is presented. The method is based on the analysis of the axial and radial temperature and concentration profiles measured under the influence of forced uncorrelated sinusoidal changes of the process variables. A two-dimensional reactor model is employed for the description of the reactor behaviour. The model parameters are estimated by statistical analysis of the measured profiles. The efficiency of the dynamic method is shown for the investigation of a pilot plant fixed bed reactor using the hydrogenation of toluene with a commercial nickel catalyst as a test reaction. 

In the present work a method is described to extract the information necessary for modelling from only a few dynamic experimental runs. The method is based on the measurement of the changes of the temperature and concentration profiles in the reactor under the influence of forced simultaneous sinusoidal variations of the process variables. The characteristic features of the dynamic method are demonstrated using the behaviour of a nonisothermal-nonadiabatic pilot plant fixed bed reactor as an example. The test reaction applied was the hydrogenation of toluene to methylcyclohexane on a commercial nickel catalyst. 

Oxidizer, Poison, Corrosive SAFETY PROFILE Poisonous and corrosive. Very reactive, a powerful oxidizer. Explosive or violent reaction with organic materials, water, acetone, ammonium halides, antimony, antimony trichloride oxide, arsenic, benzene, boron, bromine, carbon, carbon monoxide, carbon tetrachloride, carbon tetraiodide, chloromethane, cobalt, ether, halogens, iodine, powdered molybdenum, niobium, 2-pentanone, phosphoms, potassium hexachloroplatinate, pyridine, silicon, silicone grease, sulfur, tantalum, tin dichloride, titanium, toluene, vanadium, uranium, uranium hexafluoride. 

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