beta-Alanine, ethyl ester, hydrochloride → HCID 18511968, compound

HRID 1370976Notes

Reaction equation

HRID 1370976 reaction equation
[Cl:1][C:2]1[CH:12]=[CH:11][C:10]([O:13][C:14]2[CH:19]=[CH:18][C:17]([CH2:20][N:21]([CH2:34][C:35]3[CH:40]=[CH:39][C:38]([F:41])=[CH:37][C:36]=3[F:42])[C:22]3[CH:27]=[CH:26][CH:25]=[C:24]([NH:28][S:29]([CH3:32])(=[O:31])=[O:30])[C:23]=3[CH3:33])=[CH:16][CH:15]=2)=[CH:9][C:3]=1[O:4][CH2:5][C:6](O)=[O:7].Cl.C([O:46][C:47](=[O:51])[CH2:48][CH2:49][NH2:50])C>>[Cl:1][C:2]1[CH:12]=[CH:11][C:10]([O:13][C:14]2[CH:19]=[CH:18][C:17]([CH2:20][N:21]([CH2:34][C:35]3[CH:40]=[CH:39][C:38]([F:41])=[CH:37][C:36]=3[F:42])[C:22]3[CH:27]=[CH:26][CH:25]=[C:24]([NH:28][S:29]([CH3:32])(=[O:30])=[O:31])[C:23]=3[CH3:33])=[CH:16][CH:15]=2)=[CH:9][C:3]=1[O:4][CH2:5][C:6]([NH:50][CH2:49][CH2:48][C:47]([OH:51])=[O:46])=[O:7]

Participants

3

Reactant 2

HCID 458475beta-Alanine, ethyl ester, hydrochlorideHCID 11377050HCID 11377050, compound

Product 1

HCID 18511968HCID 18511968, compound

Procedure

The product from Example 91I and β-alanine ethyl ester hydrochloride was processed as described in Example 104B to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ8.97 (s, 1 H), 7.94 (t, 1 H), 7.40 (d, 1 H), 6.87-7.35 (m, 10 H), 6.76 (d, 1 H), 6.50 (dd, 1 H), 4.56 (s, 2 H), 4.08 (s, 2 H), 4.06 (s, 2 H), 3.32 (q, 2 H), 2.90 (s, 3 H), 2.39 (t, 3 H), 2.33 (s, 3 H); MS (ESI) m/z 688 (M+H+).

Sources & evidence

ORD record
ord-3bfcb6692ad14a09960bdcd3e90ffcfa
Source dataset
uspto-grants-2003_06
Patent number
US06583180B2

Reaction notes

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