Trifluoroacetic acid → HCID 178512991, compound

HRID 495133Notes

Reaction equation

HRID 495133 reaction equation
O=C1C=C(OCC[NH:11][C:12](N)=[NH:13])C2C=CC=CC=2O1.[F:19][C:20]([F:25])([F:24])[C:21]([OH:23])=[O:22].[NH2:26][CH2:27][CH2:28][CH2:29][O:30][C:31]1[C:36]2[CH:37]=[CH:38][CH:39]=[CH:40][C:35]=2[O:34][C:33](=[O:41])[CH:32]=1>>[F:19][C:20]([F:25])([F:24])[C:21]([OH:23])=[O:22].[O:41]=[C:33]1[CH:32]=[C:31]([O:30][CH2:29][CH2:28][CH2:27][NH:26][C:12]([NH2:13])=[NH:11])[C:36]2[CH:37]=[CH:38][CH:39]=[CH:40][C:35]=2[O:34]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 11264450HCID 11264450, compoundHCID 178513011HCID 178513011, compound

Product 1

HCID 178512991HCID 178512991, compound

Procedure

Is prepared according to the procedure for N-[2-(2-oxo-2H-1-benzopyran-4-yloxy)-ethyl]-guanidine from the trifluoroacetic acid salt of 4-(3-amino-propoxy)-1-benzopyran-2-one to afford the title compound as the trifluoroacetic acid salt after HPLC purification (40.0 mg, 35%). 1H NMR (DMSO-d6, 300 MHz) δ 7.88 (1H, dd, J=1.5, 8 Hz), 7.67 (2H, m), 7.39 (2H, m), 7.15 (3H, br s), 5.92 (1H, s ), 4.26 (2H, t, J=6 Hz), 3.32 (2H, buried under solvent peak), 2.03 (2H, m); MS (ESI, Pos.) calcd for C13H15N3O3 m/z [M+H]=262.1, found 262.1.

Workup

  1. customIs prepared

Sources & evidence

ORD record
ord-d6588d14823540ea8eb6857cf7151a29
Source dataset
uspto-grants-2009_05
Patent number
US07538233B2

Reaction notes

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