Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 914246Erstellt: 26. Oktober 2026

Methyl iodide → 2-Chloro-7,7-difluoro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

https://huagongshe.com/reaction/914246

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktMethyl iodideHCID 6328—
EduktSodium hydrideHCID 24758—
Edukt2-chloro-7,7-difluoro-9-isopropyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-oneHCID 86635899—
LösungsmittelDimethylacetamideHCID 31374—
Produkt2-Chloro-7,7-difluoro-9-isopropyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-oneHCID 8663590090%

Reaktionsbedingungen

Temperatur0 °C

Reaktionsschritte

2-chloro-7,7-difluoro-9-isopropyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one (0.800 g, 2.89 mmol) was dissolved in DMA (7 mL) and cooled to 0° C. under nitrogen. NaH (140 mg, 3.50 mmol) was added, the mixture was stirred for 20 min and MeI (0.23 mL, 3.61 mmol) was added dropwise. The reaction mixture was stirred at room temperature for 1 h and quenched with water (25 mL). The pH was adjusted to 1 (aq. HCl) and the mixture was extracted with ethyl acetate (4×20 mL). The comb organic extracts were concentrated in vacuo, dissolved in dichloromethane/trifluoroacetic acid (5:1, 6 ml) and concentrated in vacuo. The residue was purified by flash column chromatography on silica gel (80 g SiO2, hexanes:ethyl acetate 1:1) to afford the title compound as a yellow solid (0.753 g, 90%).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08026234B2
Quelldatensatzuspto-grants-2011_09
ORD IDord-ef0680ec7133454a8d93dd1b365bf710
Quellennotizuspto-grants-2011_09