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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1687364Generated: November 1, 2026

Methyl iodide → HCID 86633915, compound

https://huagongshe.com/reaction/1687364

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl iodideHCID 6328—
ReactantAcetonitrileHCID 6342—
ReactantCesium fluorideHCID 25953—
ReactantHCID 86633914HCID 86633914—
ProductHCID 86633915HCID 8663391591.5%

Reaction Steps

A mixture of 7-Methoxy-8-nitro-4-(2,2,2-trifluoro-acetyl)-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one (3.00 g, 0.00900 mol), Cesium fluoride (3.40 g, 0.022 mol), Acetonitrile (100 mL, 2 mol) and Methyl iodide (1.68 mL, 0.026 mol) were reacted in an analogous manner to example 736-C to give 7-Methoxy-1-methyl-6-nitro-4-(2,2,2-trifluoro-acetyl)-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one as a tan solid (2.86 g, 91%). Mp 71-74° C.; LCMS (m/e) 348 (M+1); 1H-NMR (DMSO, 400 MHz) δ 8.06 (s, 0.5H), 805 (s, 1H), 7.75 (s, 1H), 7.65 (s, 0.5H), 4.77 (s, 1H), 4.73 (s, 2H), 4.09 (s, 1H), 4.03 (s, 2H), 3.96-95 (s, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08148391B2
Source datasetuspto-grants-2012_04
ORD IDord-037e798650bd426f91ee821d117dc287
Source noteuspto-grants-2012_04