HuagongsheHuagongshe Chemistry Print Report · For research reference only
Sodium borohydride → 2-Fluoro-4-(hydroxymethyl)benzonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Sodium borohydride | HCID 4311764 | — |
| Reactant | Calcium Chloride | HCID 5284359 | — |
| Reactant | Methyl 4-cyano-3-fluorobenzoate | HCID 17965941 | — |
| Solvent | Ethanol | HCID 702 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 2-Fluoro-4-(hydroxymethyl)benzonitrile | HCID 11829631 | — |
Reaction Steps
A solution of Example 52A (1.0 g, 5.58 mmol) in THF (20 mL) at room temperature was treated with a solution of CaCl2 (1.24 g, 11.16 mmol) in ethanol (20 mL). The resulting solution was treated with NaBH4 (845 mg, 22.33 mmol) over 20 minutes, stirred for 1.25 hours, then slowly quenched with saturated ammonium chloride (100 mL), and concentrated. The remaining aqueous portion was extracted with ethyl acetate (3×100 mL) and the combined extracts were dried (MgSO4), filtered, and concentrated to provide the desired product. MS (APCI) m/z 169 (M+NH4)+; 1H NMR (300 MHz, CDCl3) δ 7.60 (t, 1H), 7.29-7.23 (m, 2H), 4.80 (s, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07211595B2 |
| Source dataset | uspto-grants-2007_05 |
| ORD ID | ord-fd8118ff7b6345f88d65e12b503fc932 |
| Source note | uspto-grants-2007_05 |