2-Cyano-3,3-bis(methylthio)acrylamide → HCID 86701874, compound

HRID 527265Notes

Reaction equation

HRID 527265 reaction equation
[C:1]([C:3](=[C:7]([S:10][CH3:11])SC)[C:4]([NH2:6])=[O:5])#[N:2].[CH3:12][CH:13]([N:15]1[CH2:20][CH2:19][N:18]([C:21]2[CH:27]=[CH:26][C:24]([NH2:25])=[CH:23][CH:22]=2)[CH2:17][CH2:16]1)[CH3:14]>CCO>[C:1]([C:3](=[C:7]([NH:25][C:24]1[CH:23]=[CH:22][C:21]([N:18]2[CH2:17][CH2:16][N:15]([CH:13]([CH3:14])[CH3:12])[CH2:20][CH2:19]2)=[CH:27][CH:26]=1)[S:10][CH3:11])[C:4]([NH2:6])=[O:5])#[N:2]

Participants

4

Reactant 2

HCID 27477462-Cyano-3,3-bis(methylthio)acrylamideHCID 91615454-[4-(Propan-2-yl)piperazin-1-yl]aniline

Product 1

HCID 86701874HCID 86701874, compound

Reagents, catalysts & solvents 1

HCID 702EthanolSolvent

Procedure

Dissolved 0.500 g 2-cyano-3,3-bis(methylthio)acrylamide in 15 mL EtOH and added 4-(4-(2-propyl)-piperazin-1-yl)aniline (1.0 eq.). Stirred reaction at 75° C. until starting amide was absent by HPLC. Once complete (18 hrs), reaction was brought to room temperature and filtered to obtain 2-cyano-3-((4-(4-isopropylpiperazin-1-yl)phenyl)amino)-3-(methylthio)acrylamide as a purple powder. Product was allowed to dry under vacuum for 1 hr.

Workup

  1. customreaction at 75° C.
  2. customOnce complete (18 hrs), reaction
  3. customwas brought to room temperature
  4. filtrationfiltered

Sources & evidence

ORD record
ord-8cce96dbee7e4f49bcaeb9650bf1353d
Source dataset
uspto-grants-2016_05
Patent number
US09346792B2

Reaction notes

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