HCID 21927829, compound → HCID 86585917, compound

HRID 1243526Notes

Reaction equation

HRID 1243526 reaction equation
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[F:8][C:9]([F:14])([F:13])[C:10]([OH:12])=[O:11].[N:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[NH:21][CH2:22][CH2:23][C:24]([N:26]1[CH2:31][CH2:30][N:29]([CH2:32][CH2:33][CH2:34][C:35]([OH:37])=[O:36])[CH2:28][CH2:27]1)=O.C(OC(NCCCN1CCN(CCCC(OC)=O)CC1)=O)(C)(C)C>>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[F:8][C:9]([F:14])([F:13])[C:10]([OH:12])=[O:11].[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[N:15]1[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=1[NH:21][CH2:22][CH2:23][CH2:24][N:26]1[CH2:27][CH2:28][N:29]([CH2:32][CH2:33][CH2:34][C:35]([OH:37])=[O:36])[CH2:30][CH2:31]1

Participants

3

Reactant 2

HCID 21927829HCID 21927829, compoundHCID 86585918HCID 86585918, compound

Product 1

HCID 86585917HCID 86585917, compound

Procedure

Prepared in an analogous manner to 4-[4-(N-pyridin-2-yl-beta-alanyl)-piperazin-1-yl]butanoic acid bis(trifluoroacetate) using methyl 4-(4-{3-[(tertbutoxycarbonyl)amino]propyl}piperazin-1-yl)butanoate in the place of methyl 4-{4-[N-(tert-butoxycarbonyl)-beta-alanyl]piperazin-1-yl}butanoate. 1H NMR (400 MHz, CD3CN) δ 7.91 (dt, 1 H), 7.82 (d, 1 H), 6.97 (d, 1 H), 6.86 (m, 1H), 3.60–3.42 (m, 8 H), 3.19–3.03 (m, 6 H), 2.44 (t, 2 H), 2.08 (t, 2 H), 1.95 (d, 2 H); MS (ESI+) for m/z 307 (M+H)+.

Sources & evidence

ORD record
ord-e9e3e5dc254c4eb6b5fe6d1e1c23e81e
Source dataset
uspto-grants-2006_10
Patent number
US07119098B2

Reaction notes

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