beta-Alanine, ethyl ester, hydrochloride → HCID 18512159, compound

HRID 1370981Notes

Reaction equation

HRID 1370981 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.C([O:47][C:48](=[O:52])[CH2:49][CH2:50][NH2:51])C>>[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]([NH:51][CH2:50][CH2:49][C:48]([OH:47])=[O:52])=[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]

Participants

3

Reactant 2

HCID 458475beta-Alanine, ethyl ester, hydrochlorideHCID 18511925HCID 18511925, compound

Product 1

HCID 18512159HCID 18512159, compound

Procedure

The product from Example 120D 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), 7.90 (t, 1 H), 6.87-7.35 (m, 11 H), 6.68 (m, 1 H), 6.48 (m, 2 H), 4.08 (s, 2 H), 4.05 (s, 2 H), 3.90 (t, 2 H), 3.64 (s, 1 H), 3.22 (dd, 2 H), 2.90 (s, 3 H), 2.35 (m, 2 H), 2.33 (s, 3 H), 2.19 (t, , 2 H), 1.87 (m, 2 H); MS (ESI) m/z 682 (M+H+).

Sources & evidence

ORD record
ord-227885739652436b9dd025f8d27b6296
Source dataset
uspto-grants-2003_06
Patent number
US06583180B2

Reaction notes

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