Janssen Chimica

Next wc turned our attention to the question of whether wc could still sec the separation of the two sets of molecules when they were buried in a large data set of diverse structures. For this purpose we added this data set of 172 molecules to the entire catalog of 8223 compounds available from a chemical supplier (janssen Chimica). Now, having a larger data set one also has to increase the size of the network a network of 40 X 30 neurons was chosen. Training this network with the same 49-dimcnsional structure representation as previously described, but now for all 8395 structures, provided the map shown in Figure 10,4-9. 

Cellulose Sulfate (Sodium) - 0.2-2.0 Janssen Chimica, Geel, Belgium... 

A solution of 14.79 g of crude commercial meta-chloroperoxybenzoic acid (Aldrich Chemical Company, Inc., or Janssen Chimica, approximately 70%) in 150 mL of dichloromethane is dried over magnesium sulfate (MgSC>4), filtered, and the MgSC>4 is washed twice with 10 mL of dichloromethane. 

Manganese chloride, 98%, was purchased from Aldrich Chemical Company, Inc., or from Janssen Chimica. It must be finely pulverized then dried by heating at 180°-200°C (0.1 mm to 0.01 mm) for 6 hr (for example, in a vacuum oven) prior to use. The anhydrous salt is very hygroscopic and must be protected against moisture (a well-closed bottle is convenient). It can, however, be handled very quickly without any special precaution. 

The submitters used butyllithium in hexane available from Janssen Chimica and standardized before use by titration against a solution of benzylic alcohol in toluene and cuproine (2,2 -biquinoline). The checkers used butyllithium (1.6 M in hexane) available from Aldrich Chemical Company, Inc., which was standardized before use by titration with diphenylacetic acid in THF. 

The submitters used ethyl formate, 97%, available from Janssen Chimica, without further purification. Dimethylformamide (DMF) can be used instead of ethyl formate with the same operating conditions. The checkers used ethyl formate (99%), available from Aldrich Chemical Company, Inc., without further purification. 

Table 4-1 reports the other facilities, besides Dupont, in the United States that produce and/or process 1,3-dinitrobenzene. The data reported in Table 4-1 are derived from the Toxics Release Inventory (TRI) of EPA (TRI92 1994). Only certain types of facilities were required to report to the TRI databank of EPA. Hence, this is not an exhaustive list. The Aldrich Chemical Company (Milwaukee, Wisconsin) and Janssen Chimica (Gardena, California) also produced 1,3-DNB for commercial sale and use (Van et al. 1991). 1,3,5-TNB has been manufactured commercially by Kodak Park Division (Rochester, New York) (OHM/TADS 1991). 

Tetrabutylammonium tribromide, Bu4N+Br3 (1), m.p. 84°. Supplier Janssen Chimica. 

Oxidation catalysts. Table 1 lists the catalysts used for these reactions, together with some of their properties and the amount of catalyst needed for 12.5 /imol surface atoms noble metal. The catalysts were obtained from 1, 5, 9, 11 Degussa A.G., Germany 2, 6 Janssen Chimica, Belgium 4 Strem Chemicals Inc., USA 8 Drijfhout, The Netherlands 10 Engelhard, The Netherlands 12 Alfa Products, USA. Catalysts 3 and 7 were prepared as described above. 

N,N-Dimethylacetamide (Janssen Chimica, Beerse, Belgium) is distilled before use. The checkers used it as obtained from Aldrich Chemical Company, Inc. 

Dichloroethane (99%) is obtained from Janssen Chimica or Aldrich Chemical Company, Inc. It is distilled from calcium hydride. 

Tetramethylpiperidin-1-oxyl from Nacalai Tesque, Inc., Kyoto, Japan, also available from Janssen Chimica, Beerse, Belgium, was used. 4-Methoxy-2,2,6,6-tetramethylpiperidin-1-oxyl, prepared according to the procedure of Endo,3 can also be used.4... 

Potassium hydride (35% in mineral oil) and (-)-menthol (99%) were purchased from the Aldrich Chemical Company, Inc., and butyllithium (2.5 M in hexanes) was obtained from Janssen Chimica. 

Lithium aluminum hydride (95+%) was purchased from Janssen Chimica. Lesser amounts led to incomplete reaction under the stated conditions. 

Sodium iodide, 99%, was purchased from Janssen Chimica and used as received. Glacial acetic add, 99%, was purchased from Prolabo. Ethyl propiolate was obtained from Janssen Chimica and used as received. 

The submitters used 99+% 2,2,2-trifluoroethanol, and 99% triethylamine, purchased from Janssen Chimica, without purification. The checkers used the same grade materials purchased from Aldrich Chemical Company, Inc., and Eastman Kodak, respectively. 

The submitters used 98% 1,1,1,3,3,3-hexamethyldisilazane and 99% ethyl chloroformate purchased from Janssen Chimica and used without purification. 

---