HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 600093Generated: October 29, 2026
N,N-Dimethylaminoethyl chloride hydrochloride → HCID 59752578, compound
https://huagongshe.com/reaction/600093
Participants
| Role | Name | HCID | Charge |
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| Reactant | N,N-Dimethylaminoethyl chloride hydrochloride | HCID 11636816 | — |
| Reactant | 3-(4-chloro-phenyl)-4,5,7,8-tetrahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester | HCID 67269020 | — |
| Reactant | HCID 67269599 | HCID 67269599 | — |
| Product | HCID 59752578 | HCID 59752578 | — |
Reaction Steps
The title compound was prepared from 3-(4-chloro-phenyl)-4,5,7,8-tetrahydro-1H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester (Example 103, Step B; 0.33 mmol) using (2-chloro-ethyl)-dimethyl-amine hydrogen chloride (0.66 mmol) in place of chloro-cyclobutane. The title compound was obtained as a 2:1 mixture (10 mg) with {2-[3-(4-chloro-phenyl)-5,6,7,8-tetrahydro-4H-1,2,6-triaza-azulen-2-yl]-ethyl}-dimethyl-amine. Data for the mixture: MS (ESI): exact mass calculated for C17H23ClN4, 318.16. found, m/z 319.4 [M+H]+. 1H NMR (500 MHz, CD3OD): 7.50-7.45 (m, 2H), 7.37-7.33 (m, 2H), 4.51-4.49 (m, 1.3H), 4.27-4.26 (m, 0.7H), 3.63-3.61 (m, 1.3H), 3.48-3.42 (m, 2H), 3.33-3.29 (m, 2H), 3.24-3.23 (m, 2H), 3.14-3.12 (m, 0.7H), 3.00-2.98 (m, 1.3H), 2.91 (s, 4H), 2.84 (s, 2H), 2.75-2.73 (m, 0.7H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07897771B2 |
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| Source dataset | uspto-grants-2011_03 |
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| ORD ID | ord-60d0fe65c3a6424eb012fb73f98cebb0 |
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| Source note | uspto-grants-2011_03 |
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