beta-Alanine, ethyl ester, hydrochloride → N-(4-{[5-({[4-(Trifluoromethoxy)phenyl]sulfonyl}amino)-1H-indol-1-yl]methyl}benzoyl)-beta-alanine

HRID 2245520Notes

Reaction equation

HRID 2245520 reaction equation
[N+:1]([C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[N:9]([CH2:13][C:14]1[CH:22]=[CH:21][C:17]([C:18]([OH:20])=O)=[CH:16][CH:15]=1)[CH:8]=[CH:7]2)([O-])=O.Cl.C([O:26][C:27](=[O:31])[CH2:28][CH2:29][NH2:30])C.[F:32][C:33]([F:46])([F:45])[O:34][C:35]1[CH:40]=[CH:39][C:38]([S:41](Cl)(=[O:43])=[O:42])=[CH:37][CH:36]=1>>[F:46][C:33]([F:32])([F:45])[O:34][C:35]1[CH:40]=[CH:39][C:38]([S:41]([NH:1][C:4]2[CH:5]=[C:6]3[C:10](=[CH:11][CH:12]=2)[N:9]([CH2:13][C:14]2[CH:22]=[CH:21][C:17]([C:18]([NH:30][CH2:29][CH2:28][C:27]([OH:26])=[O:31])=[O:20])=[CH:16][CH:15]=2)[CH:8]=[CH:7]3)(=[O:43])=[O:42])=[CH:37][CH:36]=1

Participants

4

Reactant 3

HCID 458475beta-Alanine, ethyl ester, hydrochlorideHCID 523102p-(Trifluoromethoxy)benzenesulphonyl chlorideHCID 592167084-[(5-Nitro-1H-indol-1-yl)methyl]benzoic acid

Product 1

HCID 16113881N-(4-{[5-({[4-(Trifluoromethoxy)phenyl]sulfonyl}amino)-1H-indol-1-yl]methyl}benzoyl)-beta-alanine

Procedure

The title compound was prepared from 4-[(5-nitro-1H-indol-1-yl)methyl]benzoic acid, β-alanine ethyl ester hydrochloride, and 4-trifluoromethoxyphenyl sulfonyl chloride following the procedure of Example 10: MS (ESI) m/z 562; MS (ESI) m/z 560.

Sources & evidence

ORD record
ord-a37ca9b3a7114791bf7b9b37f4da0d94
Source dataset
uspto-grants-2010_03
Patent number
US07683091B2

Reaction notes

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