/ Home
/ SUBMISSION

/ The BJOC
/ Diamond Open Access
/ Journal Statistics
/ Editorial Board
/ Community
/ Call for papers

/ Latest Articles
/ Most accessed
/ Thematic issues
/ Volumes
/ Authors

/ Alerts

/ TWITTER
/ LINKEDIN
/ Mastodon
/ RSS FEED

Empty search

Article Type

Publication Date Range

Search Tips

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.

Search Examples

aromatic	the word “aromatic”
aromatic aldehyde	the word “aromatic” OR “aldehyde”
+aromatic +aldehyde	both words “aromatic” AND “aldehyde”
+aromatic -aldehyde	the word “aromatic” but NOT “aldehyde”
“aromatic aldehyde”	the exact phrase “aromatic aldehyde”
benz*	words which begin with “benz”, such as “benzene” or “benzyl”
benz*yl	words that begin with “benz” and end with “yl”, such as “benzyl” or “benzoyl”
benzyl~	words that are close to the word “benzyl”, such as “benzoyl” (i.e., fuzzy search)

Search results

Search for "basic hydrolyses" in Full Text gives 1 result(s) in Beilstein Journal of Organic Chemistry.

Presence or absence of a novel charge-transfer complex in the base-catalyzed hydrolysis of N-ethylbenzamide or ethyl benzoate

Shinichi Yamabe,
Wei Guan and
Shigeyoshi Sakaki

Beilstein J. Org. Chem. 2013, 9, 185–196, doi:10.3762/bjoc.9.22

minimal model of TS1 was proposed and was found to be insensitive to n. Keywords: basic hydrolyses; DFT calculations; ethyl benzoate; N-ethylbenzamide; reactive intermediates; transition states; Introduction Basic hydrolyses of esters and amides have been extensively studied experimentally [1]. Use of

PDF

Graphical Abstract

Scheme 1: A scheme of the base-catalyzed amide hydrolysis involving a zwitterion suggested by analyses of sol...

Jump to Scheme 1

Scheme 2: Two processes suggested by a proton-inventory NMR study [25].

Jump to Scheme 2

Scheme 3: Hydrolysis of the ester (saponification) and the amide adopted in this work. These are assigned as ...

Jump to Scheme 3

Scheme 4: A reaction model including the water cluster.

Jump to Scheme 4

Figure 1: A minimal model of the OH⁻ nucleophilic addition to the substrate, Ph–C(=O)–X–Et. Three ((a), (b) a...

Jump to Figure 1

Figure 2: Geometries and B3LYP/6-31(+)G(d) activation energies of TS1(es) in the reaction between ethyl benzo...

Jump to Figure 2

Figure 3: Geometries and activation energies of TS1(am) in the reaction between N-ethylbenzamide and OH^-(H₂O)_n...

Jump to Figure 3

Figure 4: Reaction paths of the ester n = 16 hydrolysis, starting from the boxed reactant-like complex toward...

Jump to Figure 4

Scheme 5: A possibility that the neutral tetrahedral intermediate is the stock of concentrations for the irre...

Jump to Scheme 5

Figure 5: Reaction paths of the amide n = 16 hydrolysis. XYZ coordinates in VII.d (Supporting Information File 1).

Jump to Figure 5

Figure 6: Changes of B3LYP/6-311++G(d,p) SCRF = PCM//B3LYP/6-31(+)G(d) Et + ZPE and (Gibbs free energies) of ...

Jump to Figure 6

Figure 7: The effect of the counter ion Na⁺ on TS1(es). When the position of Na⁺ is near the nucleophile OH⁻ ...

Jump to Figure 7

Figure 8: Changes of Et + ZPE and (Gibbs free energies) of the amide hydrolysis in Figure 5 and Figure S4 (Supporting Information File 1). Energie...

Jump to Figure 8

Scheme 6: Summary of the present calculations.

Jump to Scheme 6

Figure 9: Central parts of the geometries of TS1(es) and TS1(am) of n = 32, which are taken from Figure 2 and Figure 3, respe...

Jump to Figure 9

Album

Supp Info

Full Research Paper

Published 29 Jan 2013

Full text

Other Beilstein-Institut Open Science Activities

/ Help / Support & Contact / Alerts / Privacy Policy / Terms & Conditions / Impressum