HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1990909Generated: October 25, 2026
Acetic Acid → Tert-butyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
https://huagongshe.com/reaction/1990909
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | 3-Chlorobenzaldehyde | HCID 11477 | — |
| Reactant | Sodium Hydroxide | HCID 14798 | — |
| Reactant | tert-Butyl piperazine-1-carboxylate | HCID 143452 | — |
| Reactant | Sodium triacetoxyborohydride | HCID 5049666 | — |
| Solvent | 1,1-Dichloroethane | HCID 6365 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | Tert-butyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate | HCID 4316940 | 87.4% |
Reaction Steps
To a solution of piperazine-1-carboxylic acid tert-butyl ester (4.00 g, 21.5 mmol) in dry dichloroethane (70 mL) are added 3-chlorobenzaldehyde (2.49 mL, 3.08 g, 21.9 mmol), HOAc (2.58 mL, 2.71 g, 45.1 mmol) and NaBH(OAc)3 (5.46 g, 25.8 mmol) at ambient temperature. After stirring at ambient temperature for 3d, 2N NaOH (40 mL) is added, the layers are separated, and the aqueous layer is extracted with CH2Cl2 (4×50 mL). The combined organic extracts are washed with water (3×50 mL) and brine (80 mL) and dried over MgSO4. The crude material is purified by chromatography on silica gel, eluting with hexane:EtOAc mixtures, yielding 5.83 g (18.8 mmol, 87%) of the title compound as yellow oil. MS (ES): m/z 311.0/313.0 (50/18) [MH+]. tR (method A)=5.0 min.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07645754B2 |
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| Source dataset | uspto-grants-2010_01 |
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| ORD ID | ord-994156a864ae422b9ebe21fde113ac5d |
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| Source note | uspto-grants-2010_01 |
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