HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1919894Generated: October 25, 2026
Acetic Acid → Methyl 4-[4-[(4-chlorophenyl)amino]-3-(4-methylpiperazin-1-yl)-4-oxobutyl]benzoate
https://huagongshe.com/reaction/1919894
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | 1-Methylpiperazine | HCID 53167 | — |
| Reactant | 4-Chlorophenyl isocyanide | HCID 74670 | — |
| Reactant | Methyl 4-(3-oxopropyl)benzoate | HCID 10104031 | — |
| Solvent | Methanol | HCID 887 | — |
| Solvent | 2,2,2-Trifluoroethanol | HCID 6409 | — |
| Product | Methyl 4-[4-[(4-chlorophenyl)amino]-3-(4-methylpiperazin-1-yl)-4-oxobutyl]benzoate | HCID 57611868 | — |
Reaction Steps
Methyl 4-(3-oxopropyl)benzoate (43.5 mg, 0.226 mmol), 4-chlorophenyl isocyanide (43.5 mg, 0.316 mmol), N-methylpiperazine (40.0 μL, 0.36 mmol) and AcOH (20.0 μL, 0.36 mmol) were dissolved in 100 μL of trifluoroethanol and heated at 50° C. for 3 hours. The reaction mixture was diluted with 2 mL of methanol and purified by reversed phase HPLC to afford the desired product. MS cal'd 430.2 (MH+), exp 430.1 (MH+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08168658B2 |
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| Source dataset | uspto-grants-2012_05 |
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| ORD ID | ord-819eceeeada54589bf12a9cbdce3df7a |
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| Source note | uspto-grants-2012_05 |
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