This search combines search strings from the content search (i.e. "Full Text", "Author", "Title", "Abstract", or "Keywords") with "Article Type" and "Publication Date Range" using the AND operator.
Beilstein J. Org. Chem. 2014, 10, 1765–1774, doi:10.3762/bjoc.10.184
Graphical Abstract
Scheme 1: The general form of the Strecker reaction. The reaction (b) is taken from [2].
Scheme 2: The first asymmetric Strecker reaction [4].
Scheme 3: The first asymmetric synthesis of α-aminonitirles via a chiral catalyst [5].
Scheme 4: A reaction model composed of Me-CH=O, HCN, NH3 and (H2O)10 for geometry optimizations to trace elem...
Scheme 5: Possible pathways for the formation of aminonitrile from acetaldehyde.
Figure 1: Geometries of transition states along the reaction from acetaldehyde (1) to the aminonitrile 8. Dis...
Figure 2: Energy changes along elementary processes from acetaldehyde to aminonitrile. Bold numbers are defin...
Scheme 6: A short-cut path by the nucleophilic displacement and the concomitant proton transfer. “The first b...
Scheme 7: A contrast of the nucleophilic addition.
Figure 3: Two transition states (A and B) of the nucleophilic addition of (S)-α-phenylethylamine to acetaldeh...
Scheme 8: Elementary processes of the acid-catalyzed hydrolysis of 2-amino-propanonitrile.
Figure 4: Energy changes along elementary processes from 2-amino nitrile 8 to 2-amino acid 16. Brown-color li...
Figure 5: Geometries of transition states along the most favorable route from 2-aminonitrile 8 to 2-amino aci...
Scheme 9: Summary of the present computational work expressed by minimal models.
Beilstein J. Org. Chem. 2014, 10, 259–270, doi:10.3762/bjoc.10.21
Scheme 1: The Wolff–Kishner (W-K) reduction. DEG, diethylene glycol (HO–C2H4–O–C2H4–OH), is usually used as a...
Scheme 2: Mechanism of the Wolff–Kishner reduction. The route (a) is taken from ref. [6] and (b) from refs. [5,7,8].
Scheme 3: An uncatalyzed (without base) Knoevenagel condensation in water. Experimental conditions and yields...
Scheme 4: Reaction models of neutral (a) and anionic (b) systems. Water molecules are linked to oxygen lone-p...
Figure 1: Geometric changes of the neutral Wolff–Kishner reduction reaction. The employed model is shown in Scheme 4a ...
Scheme 5: A CT complex between R1R2C=O and H2N–NH2 assisted by two hydrogen networks. R3–OH is an alcohol mol...
Figure 2: Energy changes of the neutral W-K reaction of acetone. Geometric changes are shown in Figure 1 and Figure S...
Figure 3: Geometric changes of the base-promoted Wolff–Kishner reduction reaction. The model employed is show...
Figure 4: Energy changes of the OH− containing W-K reaction of acetone calculated by B3LYP/6-311+G**. Geometr...
Scheme 6: The main part of TS6. The N1···H26 hydrogen bond is converted into the C1–H26 covalent bond.
Figure 5: A trans-diimine → propane conversion step corresponding to TS6 in Figure 3. The system is composed of trans...
Figure 6: Geometric changes of the base-promoted Wolff–Kishner reduction reaction of acetophenone [Me–C(=O)–P...
Figure 7: Energy changes of the OHˉ containing W-K reaction of acetophenone. Geometric changes are shown in Figure 6....
Scheme 7: Elementary processes of the W-K reduction obtained by DFT calculations. From the diimine intermedia...
Beilstein J. Org. Chem. 2013, 9, 1073–1082, doi:10.3762/bjoc.9.119
Scheme 1: The Bamberger rearrangement. In the square bracket, the apparent exchange of H and OH is shown.
Scheme 2: The reaction occurs through the intermolecular rearrangement, on the basis that treatment of 1 in H2...
Scheme 3: A reaction of N-ethyl-N-phenylhydroxylamine, which demonstrates that the Bamberger rearrangement do...
Scheme 4: A mechanism involving the nitrenium-ion intermediate 7. 8a is equal to 6.
Scheme 5: A reaction scheme of the OH rearrangement containing one proton. Int is an intermediate. Species, 1...
Figure 1: Geometric changes in the reaction of model II, (HO)HN–C6H5 + H3O+(H2O)14 → H3N+–C6H4–OH + (H2O)15.
Figure 2: An assumed reaction system composed of Ph–NHOH and H3O+(H2O)14. The green area represents the react...
Figure 3: Energy changes (in kcal/mol) of Δ(E+ZPE) by B3LYP/6-311+G(d,p) SCRF = PCM//B3LYP/6-31G(d) and by [B...
Scheme 6: A trans-type bond interchange was assumed. But, the reaction path could not be obtained. The group ...
Scheme 7: An alternative model for the OH [1,5]-rearrangement in the dication system.
Figure 4: Geometric changes in the reaction of model III, (HO)HN–C6H5 + (H3O+)2(H2O)13 → H3N+–C6H4–OH + (H3O+...
Figure 5: Energy changes (in kcal/mol) of model III. The corresponding geometries are shown in Figure 4. The apparent...
Figure 6: TS2(IV) and TS2(IV, [1,3]-shift) in the reaction (model IV), Ph–NH(OH) + (H3O+)2(H2O)24 → HO–C6H4–NH...
Figure 7: TS2(V) and TS2(V, [1,3]-shift) in the reaction (model V), Ph–NH(OH) + (H3O+)2(H2O)13 + Cl− → o- and ...
Scheme 8: A mechanism of the Bamberger rearrangement based on the present results. 1, 2, 2H+, 5 and 9 are def...