Mechanisms and kinetic isotope effects for the base catalysed ionisation of 1,3-dimethyl indolinone.
DOI: 10.14469/hpc/202 Metadata
Created: 2016-01-07 10:54
Last modified: 2019-05-02 11:03
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Mechanisms and kinetic isotope effects for the base catalysed ionisation of 1,3-dimethyl indolinone using a three water model and a four water + NaOH model.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| dimethylindolinone.cdx | 2KB | chemical/x-cdx | chemical structure |
| isotope.dat | 16KB | application/octet-stream | KIE Input file |
| isotope.out | 21KB | application/octet-stream | KIE output file |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/200 | Mechanism and kinetic isotope effects for the ionisation of indolinones. |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.1039/P29750001822 | Heteroaromatic hydrogen exchange reactions. Part VIII. The ionisation of 1,3-dimethylindolin-2-one Brian C. Challis and Henry S. Rzepa J. Chem. Soc., Perkin Trans. 2, 1975, 1822-1826. |
| References | 10.14469/ch/191765 | C 10 H 17 N 1 O 4 |
| References | 10.14469/ch/191782 | C 10 H 20 N 1 Na 1 O 6 |
| References | 10.14469/ch/191784 | C 10 H 20 N 1 Na 1 O 6 |
| References | 10.14469/ch/191785 | C10H20NNaO6 |
| References | 10.14469/ch/191786 | C 10 H 17 N 1 O 4 |
| References | 10.14469/hpc/5596 | Blog post: I’ve started so I’ll finish. The ionisation mechanism and kinetic isotope effects for 1,3-dimethylindolin-2 one |
| References | 10.5281/zenodo.19272 | The kinisot program used to calculate the KIE |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C10H11NO/c1-7-8-5-3-4-6-9(8)11(2)10(7)12/h3-7H,1-2H3 |
| inchikey | IAYYHINCXXUDAR-UHFFFAOYSA-N |