Trifluoroacetic acid → HCID 69519067, compound

HRID 1831449Notes

Reaction equation

HRID 1831449 reaction equation
C(O)(C(F)(F)F)=O.O[CH2:9][CH2:10][C:11]1[CH:16]=[CH:15][C:14]([O:17][C:18](=[O:27])[N:19]([CH3:26])[C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[CH:13][CH:12]=1.[SH:28][C:29]1[CH:34]=[CH:33][N:32]=[CH:31][CH:30]=1>>[N:32]1[CH:33]=[CH:34][C:29]([S:28][CH2:9][CH2:10][C:11]2[CH:16]=[CH:15][C:14]([O:17][C:18](=[O:27])[N:19]([CH3:26])[C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)=[CH:13][CH:12]=2)=[CH:30][CH:31]=1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 69520342Methyl-phenyl-carbamic Acid 4-(2-hydroxy-ethyl)-phenyl EsterHCID 178418431pyridine-4-thiol

Product 1

HCID 69519067HCID 69519067, compoundYield 5%

Procedure

The title compound was prepared as its TFA salt in 5% yield as an oil using methyl-phenyl-carbamic acid 4-(2-hydroxy-ethyl)-phenyl ester and 4-mercaptopyridine. NMR (400 MHz; CDCl3): δ 3.07 (t, 2H), 3.36 (t, 2H), 3.44 (br s, 3H), 7.06 (br d, 2H), 7.20 (d, 2H), 7.25–7.43 (m, 7H), 8.51 (d, 2H); HPLC-MS: m/z=365.2 (M+1); Rt=2.53 min.

Sources & evidence

ORD record
ord-f6a468a182e24e9b9294a1c3d77e3bdf
Source dataset
uspto-grants-2006_06
Patent number
US07067517B2

Reaction notes

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