4pzMe (1,3,5-trimethyl-4-(phenyldiazenyl)-1H-pyrazole)
DOI: 10.14469/hpc/5447 Metadata
Created: 2019-04-10 11:34
Last modified: 2019-05-02 16:27
License: Creative Commons: Public Domain Dedication 1.0
Funding: "EP/R00188X/1" does not match any project, edit to fix. If the project is new it may not be in the system yet.
Description
Acid studies on 4pzMe
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| 4pzMe cycle.xlsx | 16KB | application/vnd.openxmlformats-officedocument.spreadsheetml.sheet | Light-acid cycle experiment |
| 4pzMe acid example.mnova | 133KB | chemical/x-mnova | Example NMR of cycle experiment (acid) |
| 4pzMe acid example.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzMe acid example.mnova |
| 4pzMe irradiate example.mnova | 135KB | chemical/x-mnova | Example NMR of cycle experiment (irradiated) |
| 4pzMe irradiate example.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzMe irradiate example.mnova |
| 4pzMe for DOI.cdx | 2KB | chemical/x-cdx | Chemical structure |
| Figure S1.3 Chloroacetic.xlsx | 14KB | application/vnd.openxmlformats-officedocument.spreadsheetml.sheet | Kinetics experiment chloroacetic acid |
| Figure S1.3 no acid.xlsx | 15KB | application/vnd.openxmlformats-officedocument.spreadsheetml.sheet | Kinetics experiment no acid |
| 4pzMe Z isomer MeCN.mnova | 209KB | chemical/x-mnova | H NMR Z isomer (after UVA irradiation) in d3-MeCN |
| 4pzMe Z isomer MeCN.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzMe Z isomer MeCN.mnova |
| 4pzMe E isomer MeCN.mnova | 132KB | chemical/x-mnova | H NMR E isomer (original solid) in d3-MeCN |
| 4pzMe E isomer MeCN.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzMe E isomer MeCN.mnova |
| 4pzMe increasing HCl equivalents NMR.mnova | 909KB | chemical/x-mnova | H NMR increasing equivalents HCl in d3-MeCN |
| 4pzMe increasing HCl equivalents NMR.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for 4pzMe increasing HCl equivalents NMR.mnova |
| 4pzMe-cis.log | 1MB | chemical/x-gaussian-log | pka calculation 4pzMe Z |
| 4pzMe-Hazo1-cis.log | 1MB | chemical/x-gaussian-log | pka calculation 4pzMe Z H+ azo-1 |
| 4pzMe-Hazo1-trans.log | 1MB | chemical/x-gaussian-log | pka calculation 4pzMe E H+ azo-1 |
| 4pzMe-Hazo2-cis.log | 1MB | chemical/x-gaussian-log | pka calculation 4pzMe Z H+ azo-2 |
| 4pzMe-Hazo2-trans.log | 1MB | chemical/x-gaussian-log | pka calculation 4pzMe E H+ azo-2 |
| 4pzMe-Hpyra-cis.log | 1MB | chemical/x-gaussian-log | pka calculation 4pzMe Z H+ pyra |
| 4pzMe-Hpyra-trans.log | 1MB | chemical/x-gaussian-log | pka calculation 4pzMe E H+ pyra |
| 4pzMe-trans.log | 1MB | chemical/x-gaussian-log | pka calculation 4pzMe E |
| 4pzMe-cis.log | 146KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe Z |
| 4pzMe-Hazo1-cis.log | 149KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe Z H+ azo-1 |
| 4pzMe-Hazo1-trans.log | 149KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe E H+ azo-1 |
| 4pzMe-Hazo2-cis.log | 149KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe Z H+ azo-2 |
| 4pzMe-Hazo2-trans.log | 149KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe E H+ azo-2 |
| 4pzMe-Hazopyra-cis.log | 152KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe Z H2+ azo&pyra |
| 4pzMe-Hazopyra-trans.log | 152KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe Z H2+ azo&pyra |
| 4pzMe-Hpyra-cis.log | 150KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe Z H+ pyra |
| 4pzMe-Hpyra-trans.log | 149KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe E H+ apyra |
| 4pzMe-trans.log | 145KB | chemical/x-gaussian-log | TDDFT calculation 4pzMe E |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/5454 | Chemical Z‐E isomer switching of arylazopyrazoles using acid |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C12H14N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8H,1-3H3/b14-13+ |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,13H,1-3H3 |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,14H,1-3H3 |
| inchi | InChI=1S/C12H14N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8H,1-3H3/b14-13+ |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,15H,1-3H3/b14-13+ |
| inchi | InChI=1S/C12H14N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8H,1-3H3/b14-13- |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,15H,1-3H3/b14-13- |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,13H,1-3H3 |
| inchi | InChI=1S/C12H14N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8H,1-3H3/b14-13+ |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,13H,1-3H3 |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,14H,1-3H3 |
| inchi | InChI=1S/C12H16N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,13,15H,1-3H3 |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,13H,1-3H3 |
| inchi | InChI=1S/C12H16N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,13,15H,1-3H3 |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,14H,1-3H3 |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,15H,1-3H3/b14-13- |
| inchi | InChI=1S/C12H14N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8H,1-3H3/b14-13- |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,15H,1-3H3/b14-13+ |
| inchi | InChI=1S/C12H15N4/c1-9-12(10(2)16(3)15-9)14-13-11-7-5-4-6-8-11/h4-8,14H,1-3H3 |
| inchikey | DKJGFWFFQRMEBZ-YPKPFQOOSA-N |
| inchikey | KFNYRSBEAYSGRP-UHFFFAOYSA-N |
| inchikey | QCNUCMJIINVGAK-UHFFFAOYSA-N |
| inchikey | RYTUCFGDJNUIPX-UHFFFAOYSA-N |
| inchikey | RFTLAQHNQTVDOG-YPKPFQOOSA-N |
| inchikey | RFTLAQHNQTVDOG-BUHFOSPRSA-N |
| inchikey | DKJGFWFFQRMEBZ-BUHFOSPRSA-N |
| inchikey | KFNYRSBEAYSGRP-UHFFFAOYSA-N |
| inchikey | QCNUCMJIINVGAK-UHFFFAOYSA-N |
| inchikey | RFTLAQHNQTVDOG-YPKPFQOOSA-N |
| inchikey | RFTLAQHNQTVDOG-BUHFOSPRSA-N |
| inchikey | DKJGFWFFQRMEBZ-BUHFOSPRSA-N |
| inchikey | KFNYRSBEAYSGRP-UHFFFAOYSA-N |