1,4-Dioxane hydrochloride → HCID 86621325, compound

HRID 878425Notes

Reaction equation

HRID 878425 reaction equation
[NH2:1][C:2]1[N:7]=[CH:6][C:5]([O:8][C@H:9]2[CH:16]3[CH2:17][N:12]4[CH2:13][CH:14]([CH2:18][CH:10]2[CH2:11]4)[CH2:15]3)=[CH:4][CH:3]=1.[ClH:19].O1CCOCC1>>[ClH:19].[ClH:19].[NH2:1][C:2]1[N:7]=[CH:6][C:5]([O:8][C@H:9]2[CH:16]3[CH2:17][N:12]4[CH2:13][CH:14]([CH2:18][CH:10]2[CH2:11]4)[CH2:15]3)=[CH:4][CH:3]=1

Participants

3

Reactant 2

HCID 204431481,4-Dioxane hydrochlorideHCID 86621323HCID 86621323, compound

Product 1

HCID 86621325HCID 86621325, compound

Procedure

Prepared from the product of Example 19A (50 mg, 0.20 mmol) and HCl-dioxane (100 μL, 0.41 mmol; Aldrich, 4.0 M) according to Method H: 1H NMR (300 MHz, methanol-D4) δ ppm 2.00-2.12 (m, 2H), 2.16-2.29 (m, 3H), 2.46 (s, 2H), 3.45 (d, J=12.2 Hz, 2H), 3.55 (s, 2H), 3.81 (d, J=12.2 Hz, 2H), 4.64 (t, J=3.4 Hz, 1H), 7.03 (dd, J=9.5, 0.7 Hz, 1H), 7.72 (d, J=2.7 Hz, 1H), 7.89 (dd, J=9.7, 2.9 Hz, 1H). MS (+ESI) m/z=246 (M+H)+. Anal. Calcd. for C14H19N3O.2HCl.1.1H2O: C, 49.74; H, 6.92; N, 12.43. Found: C, 49.57; H, 6.75; N, 12.37.

Sources & evidence

ORD record
ord-14fa5b52790c4482967bdb8071434158
Source dataset
uspto-grants-2015_03
Patent number
US08987453B2

Reaction notes

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