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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1012970Generated: October 30, 2026

Sodium Hydroxide → HCID 59833507, compound

https://huagongshe.com/reaction/1012970

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium HydroxideHCID 14798—
ReactantEthyl 4-piperidinecarboxylateHCID 70770—
ReactantDiisopropylethylamineHCID 81531—
ReactantMethanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 2733084—
Reactant3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acidHCID 25131906—
SolventWaterHCID 962—
SolventTetrahydrofuranHCID 8028—
SolventDimethylacetamideHCID 31374—
ProductHCID 59833507HCID 5983350765%

Reaction Steps

3-(4-Oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic acid (A) (7.0 g, 0.25 mol), ethyl isonipecotate (5 ml, 0.32 mol), 2-(1H-benzotriazol-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate (HBTU) (12.3 g, 0.32 mol) and N,N,-diisopropylethylamine (10.0 ml, 0.55 mol) were added to dimethylacetamide (40 ml) and stirred for 18 h. Water (100 ml) was added to the reaction mixture and the product was extracted into dichloromethane (4×50 ml). The combined organic layers were washed with water (3×100 ml), dried over MgSO4, filtered and evaporated in vacuo to yield an oil. To a solution of the oil in tetrahydrofuran (100 ml) was added 10% aqueous sodium hydroxide solution (20 ml) and the reaction was stirred for 18 hours. The reaction was concentrated, washed with ethyl acetate (2×30 ml) and acidified with 2M HCl to pH 2. The aqueous layer was extracted with dichloromethane (2×100 ml), then the extracts were dried over MgSO4, filtered and evaporated to yield 1-[3-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid (C) as a yellow solid (7.0 g, 65%), m/z [M+1]+ 392 (96% purity), δH 1.3-1.8 (5H, m), 2.8-3.1 (4H, m), 4.4 (2H, s), 7.2-7.3 (1H, m), 7.3-7.4 (1H, m), 7.7-8.0 (5H, m), 8.2-8.3 (1H, m), 12.6 (1H, s).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07981889B2
Source datasetuspto-grants-2011_07
ORD IDord-265a2ee2c1b545fcb71de82170cf5336
Source noteuspto-grants-2011_07