Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1476783Generated: October 29, 2026

Sodium Hydroxide → HCID 86706712, compound

https://huagongshe.com/reaction/1476783

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium HydroxideHCID 14798—
ReactantMethyl chloroglyoxylateHCID 79846—
ReactantHCID 71546175HCID 71546175—
ReactantHCID 86706713HCID 86706713—
SolventEthanolHCID 702—
SolventWaterHCID 962—
SolventTetrahydrofuranHCID 8028—
SolventTriethylamineHCID 8471—
ProductHCID 86706712HCID 86706712—

Reaction Conditions

Temperature0 °C

Reaction Steps

3-Amino-6-methyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione (3, 201 mg, 0.72 mmol) was dissolved in tetrahydrofuran (30 mL) and cooled to 0° C. Methyl oxalyl chloride (4, 0.1 mL, 1.16 mmol) and triethylamine (0.2 mL) were added dropwise and the reaction mixture was stirred for 2 h at 0° C. The reaction mixture was diluted with water (100 mL) and extracted with chloroform (4×50 mL). The solvent was removed under vacuum and the compound passed through a short silica gel column chromatography, eluting with chloroform-methanol, 9:1. The impure solid, compound 9, was dissolved in a solution of sodium hydroxide (0.1 g, 2.5 mmol) in ethanol (50 mL) and water (1 mL) and the reaction mixture was stirred overnight at room temperature. The solvent was removed under vacuum and the residue purified by silica gel column chromatography, eluting with chloroform-methanol-acetic acid, 90:9:1. Compound 14 was obtained as a reddish-brown solid (103 mg, 44.7%, after 2 steps): mp 360° C. (dec). IR (Film) 3325, 2928, 1692, 1657, 1600, 1580, 1533, 1435, 1319, 1197, 903, 701 cm−1; 1H NMR (300 MHz, DMSO-d6) δ 10.9 (s, 1H), 8.70 (s, 1H), 8.35 (d, J=8.2 Hz, 1H), 8.02 (s, 1H), 7.90 (br s, 1H), 7.45 (m, 3H), 3.89 (s, 3H); 13C NMR (125 MHz, DMSO-d6) δ 190.1, 162.4, 162.2, 157.9, 156.3, 137.5, 136.9, 134.6, 134.0, 131.4, 128.4, 126.9, 124.4, 123.5, 123.4, 122.8, 118.5, 106.9; ESIMS m/z (rel intensity) 347 [(M-H+)−]; negative ion; HRESIMS calcd for C19H12N2O5 347.0668 [(M-H+)−]. found 347.0664 [(M-H+)−]; HPLC purity: 95.2% (MeOH—H2O, 85:15), 95.7% (MeOH—H2O, 75:25).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09402842B2
Source datasetuspto-grants-2016_08
ORD IDord-5eeef707720243ffbeee17b19655368c
Source noteuspto-grants-2016_08