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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 575836Generated: October 31, 2026

Potassium Phosphate, Tribasic → HCID 118022350, compound

https://huagongshe.com/reaction/575836

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium Phosphate, TribasicHCID 62657—
ReactantHCID 118021506HCID 118021506—
Reactant2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1(2H)-oneHCID 123809499—
CatalystBis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)HCID 178418228—
SolventWaterHCID 962—
Solvent1,4-DioxaneHCID 31275—
ProductHCID 118022350HCID 11802235019%

Reaction Conditions

Temperature90 °C

Reaction Steps

To a solution of the title compound from Step 2 (80 mg, 252 umol) in dioxane (10.00 mL) and H2O (1.00 mL) was added Pd(dppf)Cl2 (9 mg, 12.61 umol), K3PO4 (134 mg, 631 umol) and 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-1-one (79 mg, 278 umol) in one portion. The reaction mixture was degassed with N2 and heated to 90° C. for 3 hours. It was then concentrated and purified by prep-HPLC to give the title compound (18.36 mg, 19% yield). 1H NMR (CDCl3, 400 MHz) δ 8.53-8.51 (d, J=8.0 Hz, 1H), 7.79 (s, 1H), 7.75 (s, 1H), 7.63-7.56 (m, 2H), 7.33-7.31 (d, J=8.0 Hz, 1H), 7.15 (s, 1H), 4.43-4.37 (m, 1H), 3.68 (s, 3H), 3.50-3.46 (m, 1H), 3.32-3.16 (m, 1H), 3.09 (s, 3H), 1.21-1.06 (m, 1H), 0.60-0.59 (m, 2H), 0.39-0.32 (m, 2H). LCMS: 396.0 (M+1)+

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09034900B2
Source datasetuspto-grants-2015_05
ORD IDord-add90901e49f4aed89c5786da7cddfd9
Source noteuspto-grants-2015_05