HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 575678Generated: October 31, 2026
Potassium Phosphate, Tribasic → HCID 118021738, compound
https://huagongshe.com/reaction/575678
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Potassium Phosphate, Tribasic | HCID 62657 | — |
| Reactant | HCID 118022590 | HCID 118022590 | — |
| Reactant | 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1(2H)-one | HCID 123809499 | — |
| Catalyst | Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+) | HCID 178418228 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | HCID 118021738 | HCID 118021738 | 46.4% |
Reaction Steps
A mixture of 3-bromo-2-ethoxy-5-ethylsulfonylthiophene (18.0 mg, 0.06 mmol), 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1-one (24 mg, 0.08 mmol), K3PO4 (42 mg, 0.20 mmol) and Pd(dppf)Cl2 (6 mg, 0.008 mmol) in dioxane (0.5 mL) and H2O (0.05 mL) was stirred at 60° C. for 1.5 h. The reaction mixture was then poured over water (6 mL) and extracted with EtOAc (2×5 mL). The combined organic layers were dried over Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by normal phase silica gel column chromatography to give the title compound (10.5 mg, 46%). 1H NMR (DMSO-d6, 400 MHz) δ 8.29 (d, J=7.9 Hz, 1H), 7.71 (dd, J=7.6, 7.6 Hz, 1H), 7.57 (m, 3H), 7.35 (d, J=7.9 Hz, 1H), 4.25 (m, 2H), 3.54 (s, 3H), 3.38 (m, 2H), 1.24 (m, 6H). LCMS: 378.05 (M+1)+
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09034900B2 |
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| Source dataset | uspto-grants-2015_05 |
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| ORD ID | ord-2935b999e8364e8db715acd01b9af64f |
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| Source note | uspto-grants-2015_05 |
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