Glyoxal, phenyl-, hydrate → HCID 24830621, compound

HRID 607543Notes

Reaction equation

HRID 607543 reaction equation
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2([C:12]3[N:13]([NH2:18])[C:14]([NH2:17])=[N:15][N:16]=3)[CH2:11][CH2:10]2)=[CH:5][CH:4]=1.O.O=[C:21]([C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[CH:22]=O>C(O)(=O)C.CO>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2([C:12]3[N:13]4[N:18]=[CH:22][C:21]([C:24]5[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=5)=[N:17][C:14]4=[N:15][N:16]=3)[CH2:11][CH2:10]2)=[CH:5][CH:4]=1

Participants

5

Reactant 2

HCID 12215922Glyoxal, phenyl-, hydrateHCID 59216295HCID 59216295, compound

Product 1

HCID 24830621HCID 24830621, compound

Reagents, catalysts & solvents 2

HCID 176Acetic AcidSolventHCID 887MethanolSolvent

Procedure

A mixture of 5-[1-(4-methoxyphenyl)cyclopropyl]-4H-1,2,4-triazole-3,4-diamine (70.2 mg, 0.286 mmol) and oxo(phenyl)acetaldehyde hydrate (0.0435 g, 0.286 mmol) in acetic acid (1.2 mL) was stirred at RT overnight. The mixture was diluted with methanol (3.0 mL) and subject to preparative RP-HPLC to afford the two regioisomers.

Workup

  1. customto afford the two regioisomers

Sources & evidence

ORD record
ord-786cbc835e444aeab3552c4a452fafb0
Source dataset
uspto-grants-2011_03
Patent number
US07915408B2

Reaction notes

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