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By Stephen C. DeVito, Roger L. Garrett

content material: toxins prevention, eco-friendly chemistry, and the layout of more secure chemical compounds / Roger L. Garrett --
common ideas for the layout of more secure chemical compounds : toxicological concerns for chemists / Stephen C. DeVito --
melanoma danger aid via mechanism-based molecular layout of chemical substances / David Y. Lai ... [et al.] --
Isosteric alternative of carbon with silicon within the layout of more secure chemical substances / Scott McN. Sieburth --
layout of biologically more secure chemical substances in keeping with retrometabolic suggestions / Nicholas Bodor --
Predicting charges of cytochrome-P450-mediated bioactivation and its software to the layout of more secure chemical substances / Jeffrey P. Jones --
Use of desktops in toxicology and chemical layout / G.W.A. Milne, S. Wang, and V. Fung --
Designing biodegradable chemical compounds / R.S. Boethling --
Designing aquatically more secure chemical substances / Larry D. Newsome, J. Vincent Nabholz, and Anne Kim --
Designing more secure nitriles / Stephen C. DeVito --
Designing an environmentally secure marine antifoulant / G.L. Willingham and A.H. Jacobson --
Imine-isocyanate chemistry : new know-how for environmentally pleasant, high-solids coatings / Douglas A. Wicks and Philip E. Yeske.

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Acrylates, for example, contain an a,B-unsaturated carbonyl system and as such undergo Michael addition reactions. This is believed to be the basis of the carcinogenic properties of acrylates (31). , reactivity) of the 6-carbon (34) and, hence, methacrylates do not undergo 1,4-Michael addition reactions as readily. Methacrylates often have commercial efficacy similar to acrylates in many applications, but are less likely to cause cancer because they are less reactive. This point can be demonstrated by comparing ethyl acrylate, 1, which causes cancer in experimental animals (35), to methyl methacrylate, 2, which does not cause cancer in a similar assay (36).

Ch002 application, thereby regenerating the isocyanate and enabling it to react with the intended nucleophile (usually an amine) without the risk of human exposure. A similar elecux>philic-masking approach is used with vinyl sufone moieties (Table H). The vinyl sulfone group is highly electrophilic and frequendy used in fiber reactive dyes. ) They are made by reacting the appropriate 6-hydroxyethyl sulfone (Figure 3) with sulfuric acid, which provides the sulfate ester (4). The sulfate ester, which is not electrophilic and, thus, not reactive, is removed by treatment with strong base to give the vinyl sulfone (Figure 3).

Structure-activity relationships are useful for several reasons. ; ACS Symposium Series; American Chemical Society: Washington, DC, 1996. 2. CH 3 R-CH=0 cyto. ch002 37 Toxicological Considerations for Chemists DEVTTO CH 3 HOCH CHOH 2 3 3 R-0-CHCH OH — 2 A L P * H R-0-CHC 22 2-(alkoxy)-l -propanol (general structure) 22a; R = - C H 2 • V toxicity 3 2-alkoxy acetic acid metabolite (general structure) 3 R = -CH 25; 3 Figure 9. Metabolism of l-(Alkoxy)-2-Propanols (20) and 2-(Alkoxy)-l-Propanols (22).

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