Azepane → 3,5-Difluoro-4-azepan-1-ylbenzonitrile

HRID 586071Notes

Reaction equation

HRID 586071 reaction equation
[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([F:11])[C:9]=1F)[C:5]#[N:6].[NH:12]1[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]1.Cl.C12NC(CC1)CCC2>>[F:11][C:8]1[CH:7]=[C:4]([CH:3]=[C:2]([F:1])[C:9]=1[N:12]1[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]1)[C:5]#[N:6]

Participants

4

Reactant 3

HCID 8119AzepaneHCID 5222728-Azabicyclo[3.2.1]octane hydrochlorideHCID 5938143,4,5-Trifluorobenzonitrile

Product 1

HCID 574667503,5-Difluoro-4-azepan-1-ylbenzonitrile

Procedure

The title compound was prepared using the procedure described in Example 325A except using 3,4,5-trifluorobenzonitrile and azepane instead of 3,4-difluorobenzonitrile and 8-aza-bicyclo[3.2.1]octane hydrochloride. 1H NMR (DMSO-d6) δ 7.62 (d, 2H), 3.39 (m, 4H), 1.73 (m, 4H), 1.61 (m, 4H); MS (ESI) m/z 237 (M+H)+.

Sources & evidence

ORD record
ord-1b73734caa914f9d8639f4dec622d544
Source dataset
uspto-grants-2005_08
Patent number
US06933311B2

Reaction notes

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