HuagongsheHuagongshe Chemistry Print Report · For research reference only
Potassium Bromide → 1-[3-(Trifluoromethyl)phenyl]-1,4-diazepane
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Potassium Bromide | HCID 253877 | — |
| Reactant | 4-(3-Trifluoromethyl-phenyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester | HCID 69365142 | — |
| Product | 1-[3-(Trifluoromethyl)phenyl]-1,4-diazepane | HCID 15124797 | 91% |
Reaction Steps
The title compound was prepared according to the procedure of Example 1, Step 6 except that 4-(3-trifluoromethyl-phenyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester was used in place of 4-(2-methoxy-phenyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester. Yield: 91%; 1H NMR (300 MHz, CDCl3): δ1.77 (brs, 1H), 1.92 (pent, J=5.9 Hz, 2H), 2.84 (t, J=5.8 Hz, 2H), 3.04 (t, J=5.4 Hz, 2H), 3.56-3.62 (m, 4H), 6.77-6.88 (m, 3H), 7.29 (d, J=7.7 Hz, 1H); IR (KBr, cm−1): 3286w; MS (ES) m/z (relative intensity): 245 (M++H, 60). Anal. Calcd. for C12H15F3N2: C, 59.01; H, 6.19; N, 11.47. Found: C, 58.56; H, 6.03; N, 10.98.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06337326B1 |
| Source dataset | uspto-grants-2002_01 |
| ORD ID | ord-c780bded4edd40f9811720c63fa22a65 |
| Source note | uspto-grants-2002_01 |