Trifluoroacetic acid → HCID 25196368, compound

HRID 241574Notes

Reaction equation

HRID 241574 reaction equation
[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[C@@H:9]1[C@@H:14]([NH:15]C(=O)OC(C)(C)C)[CH2:13][C@@H:12]([N:23]2[CH2:30][C:29]3[CH:28]=[N:27][NH:26][C:25]=3[CH2:24]2)[CH2:11][N:10]1[CH2:31][C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1.[C:38]([OH:44])([C:40]([F:43])([F:42])[F:41])=[O:39]>C(Cl)Cl>[F:41][C:40]([F:43])([F:42])[C:38]([OH:44])=[O:39].[F:41][C:40]([F:43])([F:42])[C:38]([OH:44])=[O:39].[F:41][C:40]([F:43])([F:42])[C:38]([OH:44])=[O:39].[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[C@@H:9]1[C@@H:14]([NH2:15])[CH2:13][C@@H:12]([N:23]2[CH2:30][C:29]3[CH:28]=[N:27][NH:26][C:25]=3[CH2:24]2)[CH2:11][N:10]1[CH2:31][C:32]1[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=1

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 86657491HCID 86657491, compound

Product 1

HCID 25196368HCID 25196368, compound

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

The product from Step E was treated with 2 ml, TFA in CH2Cl2 (2 mL) for 1 h. 1H NMR (500 MHz, CD3OD): δ 7.68 (br, 1H); 7.50 (m, 6H); 7.30 (m, 2H); 7.12 (br, 1H); 4.71 (br, 4H); 3.91 (br, 2H); 3.87 (br, 2H); 3.80 (br, 1H); 3.41 (br, 1H); 3.31 (br, 1H); 3.22 (br, 1H); 2.52 (m, 1H); 2.31 (m, 1H); LC-MS: 410.08 (M+1).

Sources & evidence

ORD record
ord-78f78448d9f0468bbc76447fcdabc344
Source dataset
uspto-grants-2014_02
Patent number
US08653059B2

Reaction notes

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