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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1880839Generated: October 29, 2026

Methyl iodide → 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylazepan-4-yl)benzamide

https://huagongshe.com/reaction/1880839

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl iodideHCID 6328—
ReactantHCID 25253221HCID 25253221—
Product4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylazepan-4-yl)benzamideHCID 25253222—

Reaction Steps

The title compound was synthesized by methylating N-(Azepan-4-yl)-4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzamide using methyl iodide. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.58-1.93 (m, 17 H) 2.28 (br. s., 3 H) 2.33 (br. s., 1 H) 3.93 (s, 3 H) 4.05 (t, J=14.0 Hz, 3 H) 4.75 (d, J=7.1 Hz, 1 H) 7.37-7.53 (m, 2 H) 7.96 (s, 1 H) 8.15 (d, J=7.8 Hz, 1 H) 8.26 (t, J=4.0 Hz, 2 H). [M+H] calc'd for C28H37F2N7O3, 558; found 558.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08318727B2
Source datasetuspto-grants-2012_11
ORD IDord-761707fa3d2e4185a940515c11748c70
Source noteuspto-grants-2012_11