beta-Alanine, ethyl ester, hydrochloride → HCID 18512271, compound

HRID 1370909Notes

Reaction equation

HRID 1370909 reaction equation
[CH2:1]([N:8]([CH2:21][C:22]1[CH:42]=[CH:41][C:25]([O:26][C:27]2[CH:28]=[C:29]([CH:38]=[CH:39][CH:40]=2)[O:30][CH2:31][CH2:32][CH2:33][CH2:34][C:35]([OH:37])=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:46][C:47](=[O:51])[CH2:48][CH2:49][NH2:50])C>>[CH2:1]([N:8]([CH2:21][C:22]1[CH:42]=[CH:41][C:25]([O:26][C:27]2[CH:28]=[C:29]([CH:38]=[CH:39][CH:40]=2)[O:30][CH2:31][CH2:32][CH2:33][CH2:34][C:35]([NH:50][CH2:49][CH2:48][C:47]([OH:51])=[O:46])=[O:37])=[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

Participants

3

Reactant 2

HCID 458475beta-Alanine, ethyl ester, hydrochlorideHCID 18511967HCID 18511967, compound

Product 1

HCID 18512271HCID 18512271, compound

Procedure

The product from Example 117B and β-alanine ethyl ester hydrochloride were processed as described in Example 104B to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ ppm 8.97 (s, 1 H), 7.86 (t, 1 H), 7.23 (m, 8 H), 6.88-7.08 (m, 5 H), 6.67 (m, 1 H), 6.48 (m, 2 H), 4.06 (s, 2 H), 4.03 (s, 2 H), 3.91 (t, 2 H), 3.35 (br.s, 1 H), 3.22 (dd, 2 H), 2.91 (s, 3 H), 2.40 (s, 3 H), 2.35 (t, 2 H), 2.09 (t, 2 H), 1.50-1.74 (m, 4 H); MS (APCI) m/z 658 (M−H−).

Sources & evidence

ORD record
ord-c69695eb75094978b1ed3d74df282542
Source dataset
uspto-grants-2003_06
Patent number
US06583180B2

Reaction notes

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