23138-53-6 → HCID 57510454, compound

HRID 624233Notes

Reaction equation

HRID 624233 reaction equation
[N:1]([C:4]1C=CC(C(OC)=O)=[CH:6][CH:5]=1)=[C:2]=[O:3].[CH2:14]1[C:22]2[CH:21]=[CH:20][N:19]=[CH:18][C:17]=2[CH2:16][NH:15]1.[CH2:23]1[C:31]2[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=2)CN1>>[C:31]1([CH2:23][CH2:6][CH2:5][CH2:4][NH:1][C:2]([N:15]2[CH2:14][C:22]3[CH:21]=[CH:20][N:19]=[CH:18][C:17]=3[CH2:16]2)=[O:3])[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=1

Participants

4

Reactant 3

HCID 28045423138-53-6HCID 422478IsoindolineHCID 15194172,3-dihydro-1H-pyrrolo[3,4-c]pyridine

Product 1

HCID 57510454HCID 57510454, compound

Procedure

The title compound was prepared as described in Example 1A, substituting (4-isocyanatobutyl)benzene for methyl 4-isocyanatobenzoate and 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine for isoindoline. 1H NMR (300 MHz, DMSO-d6) δ ppm 8.55 (s, 1H), 8.46 (d, J=5.0 Hz, 1H), 7.38 (d, J=5.1 Hz, 1H), 7.32-7.22 (m, 2H), 7.23-7.11 (m, 3H), 6.38 (t, J=5.6 Hz, 1H), 4.63-4.57 (m, 4H), 3.10-3.07 (m, 2H), 2.59 (t, J=7.5 Hz, 2H), 1.66-1.39 (m, 4H); MS (ESI(+)) m/e 296 (M+H)+.

Sources & evidence

ORD record
ord-d2cf19bfdb424f76a65ed621c6066814
Source dataset
uspto-grants-2016_04
Patent number
US09302989B2

Reaction notes

Loading…