1,4-Dioxane hydrochloride → HCID 86621325, compound

HRID 1878653Notes

Reaction equation

HRID 1878653 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 17A (81 mg, 0.33 mmol) and HCl-dioxane (160 μL, 0.66 mmol; Aldrich, 4.0 M) according to Method H: 1H NMR (300 MHz, methanol-D4) δ ppm 1.92 (d, J=12.2 Hz, 2H), 2.19 (s, 1H), 2.34 (d, J=13.2 Hz, 2H), 2.46 (s, 2H), 3.56 (s, 2H), 3.58-3.74 (m, 4.14), 4.77 (t, J=3.2 Hz, 1H), 7.04 (dd, J=9.5, 0.7 Hz, 1H), 7.73 (dd, J=3.1, 0.7 Hz, 1H), 7.89 (dd, J=9.5, 2.7 Hz, 1H), MS (+ESI) m/z=246 (M+H)+. Anal. Calcd. for C14H19N3O.2HCl.0.5H2O: C, 51.38; H, 6.78; N, 12.84. Found: C, 51.06; H, 6.47; N, 12.68.

Sources & evidence

ORD record
ord-f8b74c93c8234a3eb8ca2e27caf10efc
Source dataset
uspto-grants-2012_11
Patent number
US08314119B2

Reaction notes

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