Imidazole-1-carbothioic acid (2-imino-2H-pyridin-1-yl)-amide → HCID 178420121, compound

HRID 537894Notes

Reaction equation

HRID 537894 reaction equation
N=[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][N:3]1[NH:8][C:9]([N:11]1C=CN=C1)=[S:10].Cl[CH2:17][C:18]1[NH:19][C:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[CH:21][N:22]=1>CN(C=O)C>[C:23]1([C:20]2[N:19]=[C:18]([CH2:17][S:10][C:9]3[N:11]=[C:4]4[CH:5]=[CH:6][CH:7]=[CH:2][N:3]4[N:8]=3)[NH:22][CH:21]=2)[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1

Participants

4

Reactant 2

HCID 15334493Imidazole-1-carbothioic acid (2-imino-2H-pyridin-1-yl)-amideHCID 591512362-(chloromethyl)-5-phenyl-1H-imidazole

Product 1

HCID 178420121HCID 178420121, compound

Reagents, catalysts & solvents 1

HCID 6228DimethylformamideSolvent

Conditions

Temperature
100 °C

Procedure

A solution of imidazole-1-carbothioic acid (2-imino-2H-pyridin-1-yl)-amide (18 mg, 0.080 mmol) in DMF (0.5 mL) was added to 2-chloromethyl-5-phenyl-1H-imidazole (23 mg, 0.12 mmol) and the mixture was heated at 100° C. overnight. Volatiles were evaporated and the residue was purified by preparative LC-MS to yield the title compound. LC-MS: m/z=308.2 (MH+), tR=0.67 min, method A.

Workup

  1. customVolatiles were evaporated
  2. customthe residue was purified by preparative LC-MS

Sources & evidence

ORD record
ord-61432a37992449438efde84ac4ac6c49
Source dataset
uspto-grants-2014_10
Patent number
US08865711B2

Reaction notes

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