HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1968039Generated: October 29, 2026
Ethanol → 5-(Diethoxymethyl)-2-fluorobenzonitrile
https://huagongshe.com/reaction/1968039
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Ethyl orthoformate | HCID 31214 | — |
| Reactant | 2-Fluoro-5-formylbenzonitrile | HCID 2769582 | — |
| Catalyst | Ammonium Chloride | HCID 25517 | — |
| Product | 5-(Diethoxymethyl)-2-fluorobenzonitrile | HCID 54758794 | 98.5% |
Reaction Steps
To a stirred solution of 2-fluoro-5-formylbenzonitrile (5.96 g, 40 mmol) in ethanol (5.6 g, 120 mmol) was added ammonium chloride (85.6 mg, 1.6 mmol). After the addition, the mixture was cooled to 0° C. and triethyl orthoformate (6.52 g, 44 mmol) was added dropwise. After the addition, the mixture was stirred at room temperature overnight. The mixture was concentrated, then filtered and the cake washed with ethyl acetate (20 mL×2). The filtrate was concentrate to give the title compound (8.8 g, yield 98%) as a colorless oil. 1H-NMR (400 MHz, CDCl3) δ (ppm): 1.22-1.29 (m, 6H), 3.50-3.70 (m, 4H), 5.50 (s, 1H), 7.19-7.24 (t, J=8.8 Hz, 1H), 7.70-7.74 (m, 1H), 7.76-7.78 (dd, J1=6.4 Hz, J2=2.4 Hz, 1H). LC-MS (ESI) m/z: 224 (M+1)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08420650B2 |
|---|
| Source dataset | uspto-grants-2013_04 |
|---|
| ORD ID | ord-9faa8156cb064249b98c5a07e6958ea8 |
|---|
| Source note | uspto-grants-2013_04 |
|---|