beta-Alanine, ethyl ester, hydrochloride → HCID 18511991, compound

HRID 1370935Notes

Reaction equation

HRID 1370935 reaction equation
[CH2:1]([N:8]([CH2:21][C:22]1[CH:41]=[CH:40][C:25]([O:26][C:27]2[CH:39]=[CH:38][C:30]([O:31][CH2:32][CH2:33][CH2:34][C:35](O)=[O:36])=[CH:29][CH:28]=2)=[CH:24][CH:23]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][S:16]([CH3:19])(=[O:18])=[O:17])[C:10]=1[CH3:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.C([O:45][C:46](=[O:50])[CH2:47][CH2:48][NH2:49])C>>[CH2:1]([N:8]([CH2:21][C:22]1[CH:23]=[CH:24][C:25]([O:26][C:27]2[CH:28]=[CH:29][C:30]([O:31][CH2:32][CH2:33][CH2:34][C:35]([NH:49][CH2:48][CH2:47][C:46]([OH:45])=[O:50])=[O:36])=[CH:38][CH:39]=2)=[CH:40][CH:41]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][S:16]([CH3:19])(=[O:17])=[O:18])[C:10]=1[CH3:20])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1

Participants

3

Reactant 2

HCID 458475beta-Alanine, ethyl ester, hydrochlorideHCID 18512383HCID 18512383, compound

Product 1

HCID 18511991HCID 18511991, compound

Procedure

The product from Example 233 and beta-alanine ethyl ester hydrochloride were processed as described in Example 251A and B to provide the titled compound. 1H NMR (500 MHz, DMSO-d6) δ11.91-12.41 (br.s, 1 H), 8.94 (s, 1 H), 7.90 (m, 1 H), 7.22 (m, 7 H), 6.88-7.09 (m, 7 H), 6.82 (d, 2 H), 4.04 (s, 2 H), 4.00 (s, 2 H), 3.92 (t, 2 H), 3.24 (dd, 2 H), 2.91 (s, 3 H), 2.38 (s, 3 H), 2.37 (t, 2 H), 2.21 (t, 2 H), 1.91 (m, 2 H); MS (ESI+) m/z 646 (M+H)+.

Sources & evidence

ORD record
ord-89d47fb7a76b44e6917ab2cf02d99a76
Source dataset
uspto-grants-2003_06
Patent number
US06583180B2

Reaction notes

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