4-Aminobutyrate ethyl hydrochloride → HCID 18512007, compound

HRID 1370982Notes

Reaction equation

HRID 1370982 reaction equation
[F:1][C:2]1[CH:42]=[C:41]([F:43])[CH:40]=[CH:39][C:3]=1[CH2:4][N:5]([CH2:18][C:19]1[CH:38]=[CH:37][C:22]([O:23][C:24]2[CH:25]=[C:26]([CH:34]=[CH:35][CH:36]=2)[O:27][CH2:28][CH2:29][CH2:30][C:31](O)=[O:32])=[CH:21][CH:20]=1)[C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([NH:12][S:13]([CH3:16])(=[O:15])=[O:14])[C:7]=1[CH3:17].Cl.[NH2:45][CH2:46][CH2:47][CH2:48][C:49]([O:51]CC)=[O:50]>>[F:1][C:2]1[CH:42]=[C:41]([F:43])[CH:40]=[CH:39][C:3]=1[CH2:4][N:5]([CH2:18][C:19]1[CH:20]=[CH:21][C:22]([O:23][C:24]2[CH:25]=[C:26]([CH:34]=[CH:35][CH:36]=2)[O:27][CH2:28][CH2:29][CH2:30][C:31]([NH:45][CH2:46][CH2:47][CH2:48][C:49]([OH:51])=[O:50])=[O:32])=[CH:37][CH:38]=1)[C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([NH:12][S:13]([CH3:16])(=[O:14])=[O:15])[C:7]=1[CH3:17]

Participants

3

Reactant 2

HCID 126496614-Aminobutyrate ethyl hydrochlorideHCID 18511925HCID 18511925, compound

Product 1

HCID 18512007HCID 18512007, compound

Procedure

The product from Example 120D and ethyl 4-aminobutyrate hydrochloride was processed as described in Example 104B to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ8.96 (s, 1 H), 7.83 (t, 1 H), 6.88-7.32 (m, 11 H), 6.68 (m, 1 H), 6.49 (m, 2 H), 4.08 (s, 2 H), 4.05 (s, 2 H), 3.91 (t, 2 H), 3.03 (dd, 2 H), 2.90 (s, 3 H), 2.33 (s, 3 H), 2.19 (t, 4 H), 2.07 (s, 1 H), 1.89 (m, 2 H), 1.59 (m, 2 H); MS (ESI) m/z 696 (M+H+).

Sources & evidence

ORD record
ord-84f465404ef44623a4a24ef4eeb3d478
Source dataset
uspto-grants-2003_06
Patent number
US06583180B2

Reaction notes

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