HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 917180Generated: November 2, 2026
Methanol → 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-5-chlorobenzoic acid
https://huagongshe.com/reaction/917180
Participants
| Role | Name | HCID | Charge |
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| Reactant | Methanol | HCID 887 | — |
| Reactant | Sodium Hydroxide | HCID 14798 | — |
| Reactant | 4-(4-Chloro-2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester | HCID 66757863 | — |
| Product | 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-5-chlorobenzoic acid | HCID 66599565 | — |
Reaction Steps
To a solution of 4-(4-chloro-2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (0.6 g, 1.86 mmol) in methanol (4.0 mL) was added 1.0 N NaOH (4.0 mL, 4.0 mmol) and the resulting mixture was heated to reflux at 80° C. for 36 h. Additional 1.0 N NaOH (2.0 ml, 2.0 mmol) was added to the reaction mixture and refluxed further for 18 hrs. The reaction mixture was concentrated and acidified to pH 4.0–5.0 using 1.0 N HCl and extracted with chloroform (5×). The combined organics were dried over sodium sulfate, concentrated and dried in vacuo overnight. The product contained approximately 20% amide and was separated after esterification in the next step. ESI-MS m/z: 341(M+1), UV retention time: 2.33 min.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07271176B2 |
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| Source dataset | uspto-grants-2007_09 |
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| ORD ID | ord-188acaa6c3cd48c69a586f3dbd79df53 |
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| Source note | uspto-grants-2007_09 |
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