Fumaric Acid → HCID 86681388, compound

HRID 878429Notes

Reaction equation

HRID 878429 reaction equation
[C:1]1([C:7]2[S:11][C:10]([O:12][C@H:13]3[CH:20]4[CH2:21][N:16]5[CH2:17][CH:18]([CH2:22][CH:14]3[CH2:15]5)[CH2:19]4)=[N:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:23]([OH:30])(=[O:29])/[CH:24]=[CH:25]/[C:26]([OH:28])=[O:27]>>[C:23]([OH:30])(=[O:29])/[CH:24]=[CH:25]/[C:26]([OH:28])=[O:27].[C:1]1([C:7]2[S:11][C:10]([O:12][C@H:13]3[CH:20]4[CH2:21][N:16]5[CH2:17][CH:18]([CH2:22][CH:14]3[CH2:15]5)[CH2:19]4)=[N:9][N:8]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1

Participants

3

Reactant 2

HCID 444972Fumaric AcidHCID 249878751026134-63-3

Product 1

HCID 86681388HCID 86681388, compound

Procedure

Prepared from the product of Example 45B (860 mg, 2.74 mmol) and fumaric acid (318 mg, 2.74 mmol; Aldrich) according to Method H: 1H NMR (300 MHz, methanol-D4) δ ppm 2.06-2.32 (m, 5H), 2.70 (s, 2H), 3.49 (d, J=12.5 Hz, 2H), 3.56 (s, 2H), 3.80 (d, J=12.2 Hz, 2H), 5.42 (t, J=3.4 Hz, 1H), 6.69 (s, 2H), 7.49-7.55 (m, 3H), 7.82-7.88 (m, 2H). MS (+ESI) m/z=314 (M+H)+. Anal. Calcd. for C17H19NO3S.C4H4O4: C, 58.73; H, 5.40; N, 9.78. Found: C, 58.79; H, 5.52; N, 9.70.

Sources & evidence

ORD record
ord-1d13b9e9f93d48c7a7fa7f45112e31db
Source dataset
uspto-grants-2015_03
Patent number
US08987453B2

Reaction notes

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