Hydrochloric Acid → HCID 69417491, compound

HRID 1293251Notes

Reaction equation

HRID 1293251 reaction equation
[Cl:1][C:2]1[CH:3]=[C:4]([C:20]([NH:22][C@H:23]([C:25]2[CH:34]=[CH:33][C:28]([C:29]([O:31]C)=[O:30])=[CH:27][CH:26]=2)[CH3:24])=[O:21])[C:5]([O:8][C:9]2[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][N:17]([CH3:19])[CH3:18])=[CH:11][CH:10]=2)=[N:6][CH:7]=1.Cl>C(OCC)(=O)C>[ClH:1].[Cl:1][C:2]1[CH:3]=[C:4]([C:20]([NH:22][C@H:23]([C:25]2[CH:26]=[CH:27][C:28]([C:29]([OH:31])=[O:30])=[CH:33][CH:34]=2)[CH3:24])=[O:21])[C:5]([O:8][C:9]2[CH:10]=[CH:11][C:12]([CH2:15][CH2:16][N:17]([CH3:19])[CH3:18])=[CH:13][CH:14]=2)=[N:6][CH:7]=1

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 69417244HCID 69417244, compound

Product 1

HCID 69417491HCID 69417491, compound

Reagents, catalysts & solvents 1

HCID 8857Ethyl AcetateSolvent

Procedure

The title compound was prepared according to the procedure described in step 2 of Example 83 from methyl 4-((1S)-1-{[(5-chloro-2-{4-[2-(dimethylamino)ethyl]phenoxy}pyridin-3-yl)carbonyl]amino}ethyl)benzoate (step 1) and then converted into the hydrochloride salt with 4 M solution of hydrogen chloride in ethyl acetate: 1H-NMR (DMSO-d6) δ 9.04 (1H, d, J=7.9 Hz), 8.26 (1H, d, J=2.8 Hz), 8.12 (1H, d, J=2.6 Hz), 7.85 (2H, d, J=8.4 Hz), 7.53 (2H, d, J=8.3 Hz), 7.34 (2H, d, J=8.6 Hz), 7.17 (2H, d, J=8.6 Hz), 5.22–5.12 (1H, m), 3.29–3.25 (2H, m), 3.04–2.99 (2H, m), 2.80 (6H, s), 1.45 (3H, d, J=7.0 Hz); MS (ESI) m/z 468 (M+H)+, 466 (M−H)−.

Sources & evidence

ORD record
ord-14a5d7023b794bb3ac8037df67ab417b
Source dataset
uspto-grants-2007_07
Patent number
US07238714B2

Reaction notes

Loading…