Hydrochloric Acid → HCID 70066250, compound

HRID 1586214Notes

Reaction equation

FC(F)(F)C(O)=O.FC(F)(F)C(O)=O.[NH2:15][N:16]=[CH:17][C:18]1[CH:23]=[CH:22][C:21]([CH2:24][CH2:25][CH:26]([C:32]2[CH:37]=[CH:36][CH:35]=[C:34]([CH:38]=[N:39][NH2:40])[CH:33]=2)[CH2:27][C:28]([O:30]C)=[O:29])=[CH:20][CH:19]=1.[ClH:41]>>[ClH:41].[ClH:41].[NH2:15][N:16]=[CH:17][C:18]1[CH:23]=[CH:22][C:21]([CH2:24][CH2:25][CH:26]([C:32]2[CH:37]=[CH:36][CH:35]=[C:34]([CH:38]=[N:39][NH2:40])[CH:33]=2)[CH2:27][C:28]([OH:30])=[O:29])=[CH:20][CH:19]=1

Participants

Reactant 2

HCID 313Hydrochloric Acid

HCID 86754429HCID 86754429, compound

Product 1

HCID 70066250HCID 70066250, compoundYield 66%

Procedure

Methyl 4-(aminoiminomethyl)-beta-[3-(aminoiminomethyl) phenyl]benzene pentanoate bis(trifluoroacetate) (0.030 gm, 0.08 mmol) was dissolved in 0.5 mL of 6 N HCl under N2 and stirred at room temperature for 48 hrs. The solution was concentrated to give the title compound as a white solid 0.018 gm (66%). Mp >200° C. (dec); MS: (M+H)+ 339; 1H NMR (DMSO-d6): 2.0 (m, 2H), 2.5 (m, 2H), 2.7 (dd, 1H), 2.85 (dd, 1H), 3.15(m, 1H), 7.40 (d, 2H), 7.55 (m, 2H), 7.75 (m, 4H), 9.1 (d, 4H), 9.25 (d, 4H).

Workup

concentrationThe solution was concentrated

Sources & evidence

ORD record: ord-9eb24c8b4f8447948725908da4f9db79
Source dataset: uspto-grants-1999_08
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US05942544

Reaction notes

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