Trifluoroacetic acid → HCID 178462468, compound

HRID 1778779Notes

Reaction equation

C(O)(C(F)(F)F)=O.[Cl:8][C:9]1[C:14]([O:15][CH3:16])=[CH:13][C:12]([O:17][CH3:18])=[C:11]([Cl:19])[C:10]=1[C:20]1[N:25]=[C:24]2[NH:26][N:27]=[C:28](I)[C:23]2=[CH:22][N:21]=1.[CH2:30]([N:32]1[CH2:40][C:39]2[C:34](=[N:35][CH:36]=[C:37](B3OC(C)(C)C(C)(C)O3)[CH:38]=2)[C:33]1=[O:50])[CH3:31]>>[Cl:8][C:9]1[C:14]([O:15][CH3:16])=[CH:13][C:12]([O:17][CH3:18])=[C:11]([Cl:19])[C:10]=1[C:20]1[N:25]=[C:24]2[NH:26][N:27]=[C:28]([C:37]3[CH:38]=[C:39]4[CH2:40][N:32]([CH2:30][CH3:31])[C:33](=[O:50])[C:34]4=[N:35][CH:36]=3)[C:23]2=[CH:22][N:21]=1

Participants

Reactant 3

HCID 6422Trifluoroacetic acid

HCID 86722870HCID 86722870, compound

HCID 178493476HCID 178493476, compound

Product 1

HCID 178462468HCID 178462468, compound

Procedure

This compound was prepared as a TFA salt by using procedures analogous to those described for the synthesis of Example 1, Step 7 starting from 6-(2,6-dichloro-3,5-dimethoxyphenyl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidine and 6-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one (Example 55, Step 3). LCMS (M+H)+=485.0/487.0.

Sources & evidence

ORD record: ord-36c2aaf483dd4480b2bf0390d07f5f0e
Source dataset: uspto-grants-2016_02
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09266892B2

Reaction notes

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