Trifluoroacetic acid → HCID 86700096, compound

HRID 1755445Notes

Reaction equation

HRID 1755445 reaction equation
[CH:1]([C:3]1[S:7][C:6]([NH:8][CH:9]([CH:28]([CH3:30])[CH3:29])[C:10]([NH:12][C@@H:13]([CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[C:14]([O:16]C(C)(C)C)=[O:15])=[O:11])=[N:5][CH:4]=1)=[O:2].C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH:1]([C:3]1[S:7][C:6]([NH:8][CH:9]([CH:28]([CH3:30])[CH3:29])[C:10]([NH:12][C@@H:13]([CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[C:14]([OH:16])=[O:15])=[O:11])=[N:5][CH:4]=1)=[O:2]

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acid2×HCID 86700097HCID 86700097, compound

Product 1

HCID 86700096HCID 86700096, compoundYield 138.2%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

Following the procedure as described in Example 11, except using the material from Example 24 (1.15 g, 2.66 mmol), CH2Cl2 (50 mL), TFA (5 mL, 64.9 mmol) and stirring at room temp for 18 h, 1.38 g of the title compound (quantitative yield) is obtained as a white solid as a mono TFA salt. LC/MS (Condition A): ret. T=2.86 min, (M+H)+ 376.13, and ret. T=3.03 min, (M+H)+ 376.13.

Sources & evidence

ORD record
ord-af2c511c5cf240809ea9e8a3f0f61dd1
Source dataset
uspto-grants-2015_10
Patent number
US09169295B2

Reaction notes

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