beta-Alanine, ethyl ester, hydrochloride → HCID 18511959, compound

HRID 1370907Notes

Reaction equation

HRID 1370907 reaction equation
[CH2:1]([N:8]([CH2:21][C:22]1[CH:39]=[CH:38][C:25]([O:26][C:27]2[CH:28]=[C:29]([CH:35]=[CH:36][CH:37]=2)[O:30][CH2:31][C:32]([OH:34])=O)=[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:43][C:44](=[O:48])[CH2:45][CH2:46][NH2:47])C>>[CH2:1]([N:8]([CH2:21][C:22]1[CH:39]=[CH:38][C:25]([O:26][C:27]2[CH:28]=[C:29]([CH:35]=[CH:36][CH:37]=2)[O:30][CH2:31][C:32]([NH:47][CH2:46][CH2:45][C:44]([OH:48])=[O:43])=[O:34])=[CH:24][CH:23]=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:7]=[CH:6][CH:5]=[CH:4][CH:3]=1

Participants

3

Reactant 2

HCID 458475beta-Alanine, ethyl ester, hydrochlorideHCID 18512030HCID 18512030, compound

Product 1

HCID 18511959HCID 18511959, compound

Procedure

The product from Example 62C and β-alanine ethyl ester hydrochloride were processed as described in Example 104B to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ8.97 (s, 1 H), 8.10 (t, 1 H), 7.24 (m, 8 H), 6.99 (m, 5 H), 6.71 (m, 1 H), 6.55 (m, 2 H), 4.43 (s, 2 H), 4.06 (s, 2 H), 4.03 (s, 2 H), 3.31 (dd, 2 H), 2.88 (s, 3 H), 2.40 (t, 4 H), 2.07 (s, 2 H); MS (APCI) m/z 618 (M+H+).

Sources & evidence

ORD record
ord-aa1a050b175d41d0a5e52518dc51746e
Source dataset
uspto-grants-2003_06
Patent number
US06583180B2

Reaction notes

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