HCID 16776638, compound → HCID 50925060, compound

HRID 570475Notes

Reaction equation

HRID 570475 reaction equation
N[CH2:2][CH2:3][NH:4][C:5]([C:7]1[S:8][CH:9]=[CH:10][C:11]=1[NH:12][C:13]1[CH:18]=[CH:17][N:16]=[C:15]2[NH:19][CH:20]=[CH:21][C:14]=12)=[O:6].N[CH2:23][C:24]1[CH:25]=[C:26]([NH:30][C:31](=[O:39])[C:32]2[CH:37]=[CH:36][C:35]([F:38])=[CH:34][CH:33]=2)[CH:27]=CC=1>>[F:38][C:35]1[CH:34]=[CH:33][C:32]([C:31]([NH:30][C:26]2[CH:27]=[C:2]([CH:23]=[CH:24][CH:25]=2)[CH2:3][NH:4][C:5]([C:7]2[S:8][CH:9]=[CH:10][C:11]=2[NH:12][C:13]2[CH:18]=[CH:17][N:16]=[C:15]3[NH:19][CH:20]=[CH:21][C:14]=23)=[O:6])=[O:39])=[CH:37][CH:36]=1

Participants

3

Reactant 2

HCID 16776638HCID 16776638, compoundHCID 509244533-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid (2-amino-ethyl)-amide

Product 1

HCID 50925060HCID 50925060, compound

Procedure

This compound was prepared in an analogous manner as 3-(1H-Pyrrolo[2,3-b]pyridin-4-ylamino)-thiophene-2-carboxylic acid (2-amino-ethyl)-amide using N[3-(aminomethyl)phenyl]-4-fluorobenzamide instead of tert-butyl-2-amino ethyl carbamate. LCMS (ESI) 486 (M+H) 1H NMR (400 MHz, DMSO-d6) δ ppm 11.53 (1H, s) 10.39 (1H, s) 10.26 (1H, s) 8.66-8.78 (1H, m) 8.02 (4H, dt, J=5.48, 2.70 Hz) 7.81 (1H, d, J=5.42 Hz) 7.68 (2H, d, J=8.20 Hz) 7.51 (1H, d, J=5.47 Hz) 7.24-7.40 (5H, m) 7.06 (1H, d, J=7.42 Hz) 6.86 (1H, d, J=5.52 Hz) 6.43 (1H, dd, J=3.54, 1.93 Hz) 4.47 (2H, d, J=5.86 Hz)

Sources & evidence

ORD record
ord-bee6ba1d57174670b8c1a298451d622a
Source dataset
uspto-grants-2015_05
Patent number
US09023847B2

Reaction notes

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