4-(Methylthio)aniline → HCID 49802527, compound
Reaction equation
C(O[C:4]([C:6]1([CH2:12][CH2:13]OC)[CH2:11][CH2:10][NH:9][CH2:8][CH2:7]1)=[O:5])C.[Cl:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[S:23](Cl)(=[O:25])=[O:24].[CH3:27][S:28][C:29]1[CH:35]=[CH:34][C:32]([NH2:33])=[CH:31][CH:30]=1>>[Cl:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[S:23]([N:9]1[CH2:8][CH2:7][C:6]2([C:4](=[O:5])[N:33]([C:32]3[CH:34]=[CH:35][C:29]([S:28][CH3:27])=[CH:30][CH:31]=3)[CH2:13][CH2:12]2)[CH2:11][CH2:10]1)(=[O:25])=[O:24]Participants
4
Procedure
Off-white solid. MS (ESI): 451.09 (MH+). This example was prepared in analogy to example 1 step C) to D) from 4-(2-methoxy-ethyl)-piperidine-4-carboxylic acid ethyl ester (example 1 step B)), 2-chlorobenzenesulfonyl chloride and 4-(methylmercapto)-aniline.
Sources & evidence
- ORD record
- ord-58083513484943459a05c2af09cdb416
- Source dataset
- uspto-grants-2012_12
- Patent number
- US08329904B2
Reaction notes
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