2-Propanol, 1-[(2-aminoethyl)amino]- → HCID 57269122, compound

HRID 2188437Notes

Reaction equation

HRID 2188437 reaction equation
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)[C:10]([NH:12][C@@H:13]([CH2:17][C:18]1[CH:23]=[CH:22][C:21]([O:24][CH2:25][C:26]([O:28]C)=[O:27])=[C:20]([C:30]([O:32]C)=[O:31])[CH:19]=1)[C:14](O)=[O:15])=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH:41][CH:42]([CH3:48])[CH2:43][NH:44][CH2:45][CH2:46][NH2:47]>>[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)[C:10]([NH:12][C@H:13]([C:14]([NH:47][CH2:46][CH2:45][NH:44][CH2:43][CH:42]([OH:41])[CH3:48])=[O:15])[CH2:17][C:18]1[CH:23]=[CH:22][C:21]([O:24][CH2:25][C:26]([OH:28])=[O:27])=[C:20]([CH:19]=1)[C:30]([OH:32])=[O:31])=[O:11])=[O:7])([CH3:4])([CH3:2])[CH3:3]

Participants

3

Reactant 2

HCID 1015942-Propanol, 1-[(2-aminoethyl)amino]-HCID 57019224(2S)-2-({(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl}amino)-3-[3-(methoxycarbonyl)-4-(2-methoxy-2-oxoethoxy)phenyl]propanoic acid

Product 1

HCID 57269122HCID 57269122, compound

Procedure

Synthesis was performed from (2S)-2-({(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl}amino)-3-[3-(methoxycarbonyl)-4-(2-methoxy-2-oxoethoxy)phenyl]propanoic acid and N-(2-hydroxypropyl)ethylenediamine (34 mg) according to Method B to give the title compound (26 mg). 1H-NMR (400 MHz, CD3OD) d 7.56 (d, J=2.4 Hz, 1H), 7.32 (d, J=8.8 Hz, 1H), 7.28-7.17 (m, 5H), 7.05 (d, J=8.5 Hz, 1H), 4.37 (m, 1H), 4.27 (dd, J=5.2 Hz, J=8.9 Hz, 1H), 1.35 (s, 9H), 1.22 (dd, J=1.8 Hz, J=6.3 Hz, 3H); HRMS m/z 630.2883 (calc. of monoisotopic mass for C31H42N4O10 gives 630.2901).

Workup

  1. customSynthesis

Sources & evidence

ORD record
ord-e16bf16a6fa043d3b9d2ad5b0336b262
Source dataset
uspto-grants-2002_06
Patent number
US06410585B1

Reaction notes

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