HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1097504Generated: October 31, 2026
Chloroacetyl chloride → 3-(1-cyano-1-methylethyl)-N-{3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}-7-nitro-1,3-benzothiazol-6-yl)oxy]phenyl}benzamide
https://huagongshe.com/reaction/1097504
Participants
| Role | Name | HCID | Charge |
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| Reactant | Chloroacetyl chloride | HCID 6577 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1-Methylpiperazine | HCID 53167 | — |
| Reactant | N-{3-[(2-amino-7-nitro-1,3-benzothiazol-6-yl)oxy]phenyl}-3-(1-cyano-1-methylethyl)benzamide | HCID 86644697 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Solvent | Dimethylacetamide | HCID 31374 | — |
| Product | 3-(1-cyano-1-methylethyl)-N-{3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}-7-nitro-1,3-benzothiazol-6-yl)oxy]phenyl}benzamide | HCID 59454478 | 84% |
Reaction Steps
To a solution of N-{3-[(2-amino-7-nitro-1,3-benzothiazol-6-yl)oxy]phenyl}-3-(1-cyano-1-methylethyl)benzamide (150 mg, 0.32 mmol) produced in Example 37(ii) in dimethylacetamide (2 mL) was added chloroacetyl chloride (55 μL, 0.70 mmol), and the mixture was stirred at room temperature for 2 hr. The reaction mixture was diluted with ethyl acetate (25 mL), washed successively with 5% aqueous sodium hydrogen carbonate solution (25 mL) and saturated brine (25 mL), and dried over anhydrous sodium sulfate. Insoluble material was filtered off, the filtrate was concentrated under reduced pressure, the obtained residue was dissolved in tetrahydrofuran (3 mL). Triethylamine (130 μL, 0.95 mmol) and 1-methylpiperazine (105 μL, 0.95 mmol) were added to the mixture, and the mixture was stirred at 60° C. for 4 hr. The reaction mixture was cooled to room temperature, diluted with ethyl acetate (25 mL), washed successively with water (25 mL) and saturated brine (25 mL), and dried over anhydrous sodium sulfate. Insoluble material was filtered off, the filtrate was concentrated under reduced pressure, the obtained residue was purified by basic silica gel column chromatography (methanol/ethyl acetate=0/100→15/85), and the obtained solution was concentrated under reduced pressure. The residue was crystallized from ethyl acetate/diisopropyl ether to give the title compound (162 mg, 84%) as a yellow powder.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08143258B2 |
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| Source dataset | uspto-grants-2012_03 |
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| ORD ID | ord-7646368200f94b69b13e689287984769 |
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| Source note | uspto-grants-2012_03 |
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