Ethanol → HCID 178480079, compound

HRID 400727Notes

Reaction equation

HRID 400727 reaction equation
[OH:1][N:2]=[C:3]([C:5]1[CH:13]=[CH:12][C:8]2N[CH:10]=[N:11][C:7]=2C=1)[NH2:4].[CH3:14]N1C2C(=CC(C#N)=CC=2)C=C1.[CH3:26][CH2:27]O>>[OH:1][NH:2][C:3]([C:5]1[CH:13]=[C:12]2[C:14](=[CH:26][CH:27]=1)[N:11]([CH3:10])[CH:7]=[CH:8]2)=[NH:4]

Participants

4

Reactant 3

HCID 702EthanolHCID 114125131-methyl-1H-indole-5-carbonitrileHCID 178513241N'-hydroxy-3H-benzimidazole-5-carboximidamide

Product 1

HCID 178480079HCID 178480079, compound

Procedure

The title compound was prepared following procedure described for Intermediate 1, step 2, but starting from 1-methyl-1H-indole-5-carbonitrile obtained in step 1 (285 mg; 1.82 mmol) in EtOH (3 mL) as an off-white solid (325 mg, 94%). 1H NMR (DMSO-d6) δ 9.37 (s, 1H), 7.84 (s, 1H), 7.52-7.48 (m, 1H), 7.40-7.37 (m, 1H), 7.33-7.32 (m, 1H), 6.43 (d, J=3 Hz, 1H), 5.70 (bs, 2H), 3.78 (s, 3H).

Sources & evidence

ORD record
ord-1f0cb568ab284a33bf1d343d4e9876d7
Source dataset
uspto-grants-2014_06
Patent number
US08741923B2

Reaction notes

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