Benzenesulfonate → Benzenesulfonic Acid

HRID 1752175Notes

Reaction equation

HRID 1752175 reaction equation
[C:1]1([S:7]([O-:10])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CC1C=CC(C(NC2C=C(C(F)(F)F)C=C(N3C=C(C)N=C3)C=2)=O)=CC=1NC1N=C(C2C=NC=CC=2)C=CN=1>C(OCC)(=O)C>[C:1]1([S:7]([OH:10])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1

Participants

4

Reactant 2

HCID 91526BenzenesulfonateHCID 644241Nilotinib

Product 1

HCID 7371Benzenesulfonic Acid

Reagents, catalysts & solvents 1

HCID 8857Ethyl AcetateSolvent

Procedure

The seventh embodiment of the present invention is directed to the benzene sulfonate salt of 4-methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide. This salt is reproducibly produced from ethyl acetate when one equivalent benzene sulfonic acid is used. The weight loss (room temperature to 250° C.) is about 0.63%, and the sample melts with decomposition at about 260° C. Its crystal structure ranges from poor to good. The XRPD pattern for the benzene sulfonate salt of 4-methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide is shown in FIG. 7.

Sources & evidence

ORD record
ord-6edb956f82d0438489a0e8ecbe9a87af
Source dataset
uspto-grants-2015_10
Patent number
US09163005B2

Reaction notes

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