Peracetic Acid → HCID 178504861, compound

HRID 652096Notes

Reaction equation

HRID 652096 reaction equation
[C:1](OO)(=O)C.CS[C:8]1[N:12]=[C:11]([NH:13][CH2:14][CH2:15][CH2:16][CH2:17][O:18][C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([CH2:25][N:26]3[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]3)[CH:20]=2)[NH:10][N:9]=1.C([O-])(=O)C.[Na+].[S:37]([O-:40])([O-])=[O:38].[Na+].[Na+]>C(O)(=O)C.O>[CH3:1][S:37]([C:8]1[N:12]=[C:11]([NH:13][CH2:14][CH2:15][CH2:16][CH2:17][O:18][C:19]2[CH:24]=[CH:23][CH:22]=[C:21]([CH2:25][N:26]3[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]3)[CH:20]=2)[NH:10][N:9]=1)(=[O:40])=[O:38]

Participants

7

Reactant 4

HCID 6585Peracetic Acid2×HCID 24437Sodium SulfiteHCID 517045Sodium AcetateHCID 20199173HCID 20199173, compound

Product 1

HCID 178504861HCID 178504861, compound

Reagents, catalysts & solvents 2

HCID 176Acetic AcidSolvent2×HCID 962WaterSolvent

Procedure

Peracetic acid (1.8 ml) in acetic acid (13 ml) was added at 0° to a solution of 3-methylthio-N-[4-[3-(1-piperidinylmethyl)phenoxy]butyl]-1H-1,2,4-triazole-5-amine (1.6 g) and sodium acetate (0.69 g) in acetic acid (22 ml) and the mixture was stirred at room temperature, for 18 h. Excess peracetic acid was decomposed with sodium sulphite (3.0 g) in water and the resulting suspension evaporated. The residue was neutralised with sodium bicarbonate solution and extracted with chloroform. The extract was evaporated to give an oil which was crystallised from methyl acetate-petroleum ether (5:1) to give the title compound as a beige powder (0.75 g), m.p. 79°-81°.

Workup

  1. customthe resulting suspension evaporated
  2. extractionextracted with chloroform
  3. customThe extract was evaporated
  4. customto give an oil which
  5. customwas crystallised from methyl acetate-petroleum ether (5:1)

Sources & evidence

ORD record
ord-93979d852fef4f1e995bbbe95b458b6b
Source dataset
uspto-grants-1987_06
Patent number
US04670448

Reaction notes

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