1H-Imidazole-1-propanamine → HCID 4780362, compound

HRID 988920Notes

Reaction equation

HRID 988920 reaction equation
Cl[C:2]1[CH:9]=[CH:8][C:7]([N+:10]([O-:12])=[O:11])=[CH:6][C:3]=1[C:4]#[N:5].[N:13]1([CH2:18][CH2:19][CH2:20][NH2:21])[CH:17]=[CH:16][N:15]=[CH:14]1>>[N:13]1([CH2:18][CH2:19][CH2:20][NH:21][C:2]2[CH:9]=[CH:8][C:7]([N+:10]([O-:12])=[O:11])=[CH:6][C:3]=2[C:4]#[N:5])[CH:17]=[CH:16][N:15]=[CH:14]1

Participants

3

Reactant 2

HCID 787361H-Imidazole-1-propanamineHCID 855042-Chloro-5-nitrobenzonitrile

Product 1

HCID 4780362HCID 4780362, compoundYield 52%

Procedure

Starting with 36.5 g (0.2 mol) of 2-chloro-5-nitrobenzonitrile and 31.3 g (0.25 mol) of 3-imidazol-1-ylpropylamine, and after purification by recrystallization from refluxing at 96 ° ethanol, 28.2 g of yellow crystals melting at 177° C. (Kofler) were obtained, the elemental analysis of which, calculated for C13H13N5O2, was:

Workup

  1. customafter purification
  2. customby recrystallization
  3. temperaturefrom refluxing at 96 ° ethanol

Sources & evidence

ORD record
ord-07f11ec90a42433db1e57ec8a27caaf9
Source dataset
uspto-grants-2003_10
Patent number
US06638321B1

Reaction notes

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