HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chlorobenzaldehyde → HCID 11664188, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-Chlorobenzaldehyde | HCID 6996 | — |
| Reactant | 6-Amino-1-hexanol | HCID 19960 | — |
| Reactant | 2,4-Dichlorobenzenethiol | HCID 70730 | — |
| Reactant | 2-Bromobenzenethiol | HCID 80598 | — |
| Reactant | tert-Butyl piperazine-1-carboxylate | HCID 143452 | — |
| Reactant | 4-Fluoro-3-(trifluoromethyl)benzaldehyde | HCID 522269 | — |
| Solvent | Water | HCID 962 | — |
| Product | HCID 11664188 | HCID 11664188 | — |
Reaction Steps
The title compound was prepared by the procedures described in Example 1 substituting 2,4-dichlorothiophenol with 2-bromothiophenol, 2-chlorobenzaldehyde with 4-fluoro-3-trifluoromethylbenzaldehyde, and 6-amino-1-hexanol with t-butyl 1-piperazinecarboxylate, to give a white solid. 1H NMR (CDCl3, 300 MHz) d 1.48 (s, 9H), 3.49 (br s, 4H), 3.56-3.78 (m, 4H), 6.89 (d, J=15.6 Hz, 1H), 7.10 (d, J=8.4 Hz, 1H), 7.18-7.35 (m, 3H), 7.49 (d, J=8.4 Hz, 1H), 7.65 (d, J=15.6 Hz, 1H), 7.68 (dd, J=2.1, 8.4 Hz, 1H), 7.85 (br s, 1H). MS (APCI−) (M+Cl)− at m/z 605, 607, 609. Anal. Calcd for C25H26N2O3BrF3S. 0.03 H2O: C, 52.50; H, 4.59; N, 4.90. Found: C, 52.54; H, 4.71; N, 4.68.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06878700B1 |
| Source dataset | uspto-grants-2005_04 |
| ORD ID | ord-2e2db83e82b040ca9630341aa04deefb |
| Source note | uspto-grants-2005_04 |