HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acetic Acid → 1-Methyl-2-(3-nitro-5-trifluoromethyl-phenoxymethyl)-pyrrolidine
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Formaldehyde | HCID 712 | — |
| Reactant | Sodium cyanoborohydride | HCID 5003444 | — |
| Reactant | 2-(3-Nitro-5-trifluoromethyl-phenoxymethyl)-pyrrolidine | HCID 21959418 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | 1-Methyl-2-(3-nitro-5-trifluoromethyl-phenoxymethyl)-pyrrolidine | HCID 21959476 | — |
Reaction Steps
2-(3-Nitro-5-trifluoromethyl-phenoxymethyl)-pyrrolidine (6 mmol) was dissolved in CH3CN (20 ml) and formaldehyde (2.4 ml, 37% aqueous) was added. NaBH3CN (607 mg) was added, an exotherm was observed. The pH is monitored every 15 min and adjusted to ˜7 with AcOH. After 45 min, the mixture was concentrated in vacuo and the residue is dissolved in EtOAc, washed with 6N NaOH, 1N NaOH, and 2N HCl (3×). The acid washings were combined, adjusted to ˜pH 10 with solid Na2CO3 and extracted with EtOAc (2×). The EtOAc fractions were combined, dried with Na2SO4, and purified with flash chromatography (SiO2, 95:5:0.5 CH2Cl2:MeOH:NH4OH) to afford 1-methyl-2-(3-nitro-5-trifluoromethyl-phenoxymethyl)-pyrrolidine.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06878714B2 |
| Source dataset | uspto-grants-2005_04 |
| ORD ID | ord-3535ce3350af4fb5ab14f4594c5860f5 |
| Source note | uspto-grants-2005_04 |