HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1161296Generated: October 29, 2026
Dichloromethane → 2-(6-Chloro-5-(2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamido)-1-oxoisoquinolin-2(1H)-yl)ethyl acetate
https://huagongshe.com/reaction/1161296
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Dichloromethane | HCID 6344 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | 4-Fluoro-3-(trifluoromethyl)phenylacetic acid | HCID 2737593 | — |
| Reactant | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| Reactant | 2-(5-Amino-6-chloro-1-oxoisoquinolin-2(1H)-yl)ethyl acetate | HCID 59515676 | — |
| Product | 2-(6-Chloro-5-(2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamido)-1-oxoisoquinolin-2(1H)-yl)ethyl acetate | HCID 59515871 | — |
Reaction Steps
A reaction vial was charged with 2-(5-amino-6-chloro-1-oxoisoquinolin-2(1H)-yl)ethyl acetate (60.0 mg, 0.000214 mol), 2-(4-fluoro-3-(trifluoromethyl)phenyl)acetic acid (57.0 mg, 0.000256 mol), N,N,N′,N′-tetramethyl-O-(7-azabenzotriazol-1-yl)uronium hexafluorophosphate (203 mg, 0.000534 mol), N,N-diisopropylethylamine (0.093 mL, 0.00053 mol) and methylene chloride (3 mL, 0.05 mol) and the reaction stirred at 45° C. for 4 days. The reaction did not go to completion and a polar by product started increasing and so the reaction was stopped and solvent removed and the residue purified by flash chromatography to obtain the product as a light yellow solid. MS m/z=485.2 (M+H)
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07816371B2 |
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| Source dataset | uspto-grants-2010_10 |
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| ORD ID | ord-5101027a9df14320bfb78aba84c1a0aa |
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| Source note | uspto-grants-2010_10 |
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