Benzoyl isothiocyanate → HCID 53784822, compound

HRID 1073133Notes

Reaction equation

HRID 1073133 reaction equation
[C:1]([N:9]=[C:10]=[S:11])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N:12]1([C:18]2[CH:23]=[CH:22][C:21]([C:24]3[CH:25]([CH3:31])[CH2:26][C:27](=[O:30])[NH:28][N:29]=3)=[CH:20][C:19]=2[N+:32]([O-:34])=[O:33])[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1>O1CCOCC1>[C:1]([NH:9][C:10]([N:15]1[CH2:16][CH2:17][N:12]([C:18]2[CH:23]=[CH:22][C:21]([C:24]3[CH:25]([CH3:31])[CH2:26][C:27](=[O:30])[NH:28][N:29]=3)=[CH:20][C:19]=2[N+:32]([O-:34])=[O:33])[CH2:13][CH2:14]1)=[S:11])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1

Participants

4

Reactant 2

HCID 68284Benzoyl isothiocyanateHCID 14459461HCID 14459461, compound

Product 1

HCID 53784822HCID 53784822, compound

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent

Procedure

27.0 g (0.165 mol) of benzoyl isothiocyanate are added at room temperature to 52.4 g (0.165 mol) of 6-[4-(1-piperazinyl)-3-nitro-phenyl]-4,5-dihydro-5-methyl-3(2H)-pyridazinone in 1200 ml of 1,4-dioxane. The reaction mixture is stirred at room temperature for 2 hours and then concentrated to 700 ml under vacuum and left to crystallize. 76 05 g (96% of theoretical) of orange-yellow crystals melting at 174.5°-177° C. are obtained after suction filtration.

Workup

  1. concentrationconcentrated to 700 ml under vacuum
  2. waitleft
  3. customto crystallize

Sources & evidence

ORD record
ord-00dc85e338ee4d789d516361a39b6646
Source dataset
uspto-grants-1990_11
Patent number
US04968683

Reaction notes

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