HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2104598Generated: October 30, 2026
3-Methyl-3-phenylbutanal → HCID 66913545, compound
https://huagongshe.com/reaction/2104598
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 3-Methyl-3-phenylbutanal | HCID 232459 | — |
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | HCID 21555860 | HCID 21555860 | — |
| Solvent | Acetic Acid | HCID 176 | — |
| Product | HCID 66913545 | HCID 66913545 | 33.9% |
Reaction Steps
3,3-Dimethyl-3-phenylpropionaldehyde (0.272 g, 1.67 mmol) and [2-amino-3-(trifluoromethyl)phenyl](phenyl)methanone (0.138 g, 0.52 mmol) are dissolved in AcOH (3 mL) and treated with 1:20H2SO4/AcOH solution (0.10 mL). The mixture is heated in a microwave at 175° C. for 15 min and a further 5 min at 200° C. The reaction is carefully poured into saturated aq sodium bicarbonate and extracted with ethyl acetate. The extracts are washed with saturated aq sodium bicarbonate and dried (MgSO4). The product is chromatographed eluting with 5:95 ethyl acetate:hexane. The partially purified is further purified using Prep HPLC with a gradient of 10-100% acetonitrile/water to afford the title compound (0.069 g). HRMS: calcd for C25H20F3N+H, 392.16261; found (ESI, [M+H]+), 392.1637.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07576215B2 |
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| Source dataset | uspto-grants-2009_08 |
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| ORD ID | ord-dd24f2da829a4b6ab0b0b2e6f5b5e74b |
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| Source note | uspto-grants-2009_08 |
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