HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2354889Generated: October 31, 2026
Acetic Acid → Tert-butyl 12-(4-chlorophenyl)sulfonyl-4,5,10,12-tetrazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene-10-carboxylate
https://huagongshe.com/reaction/2354889
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Hydrazine hydrate (1:1) | HCID 24654 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | 9-(4-Chloro-benzenesulfonyl)-6-hydroxymethylene-7-oxo-3,9-diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester | HCID 66842259 | — |
| Solvent | Ethanol | HCID 702 | — |
| Product | Tert-butyl 12-(4-chlorophenyl)sulfonyl-4,5,10,12-tetrazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene-10-carboxylate | HCID 45487090 | — |
Reaction Steps
To a solution of 9-(4-chloro-benzenesulfonyl)-6-hydroxymethylene-7-oxo-3,9-diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester (4.91 g, 11.1 mmol) in ethanol (20 mL) was added glacial acetic acid (0.5 mL) followed by hydrazine monohydrate (5.39 mL, 111.1 mmol). The reaction mixture was stirred at room temperature for 1 h after which saturated NaHCO3 (10 mL) was added. The resulting solution was extracted with EtOAc (3×20 mL), the organic extracts were combined, dried (Na2SO4), filtered, concentrated and purified by silica gel column chromatography (eluant hexane/EtOAc, 9/1 to 2/8) and preparative HPLC to give 12-(4-chloro-benzenesulfonyl)-4,5,10,12-tetraaza-tricyclo[6.3.1.02,6]dodeca-2(6),3-diene-10-carboxylic acid tert-butyl ester as a white solid. Retention time (min)=1.794, method [1], MS (ESI) 439.1 (M+H); 1H NMR (300 MHz, CDCl3) δ 7.60 (d, J=8.2 Hz, 2H), 7.40 (s, 1H), 7.32 (d, J=8.2 Hz, 2H), 5.39 (s, 1H), 4.31 (s, 1H), 4.15-4.00 (m, 1H), 3.90 (d, J=12.1 Hz, 1H), 3.39-3.10 (m, 2H), 2.75-2.60 (m, 2H), 1.20-1.07 (m, 9H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07754712B2 |
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| Source dataset | uspto-grants-2010_07 |
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| ORD ID | ord-851e3a460bb04f5391e9f56595d228bc |
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| Source note | uspto-grants-2010_07 |
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