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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1880984Generated: October 27, 2026

2,2-Difluoro-1,3-dioxaindan-4-amine → 9-cyclopentyl-2-(2,2-difluorobenzo[d][1,3]dioxol-4-ylamino)-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one

https://huagongshe.com/reaction/1880984

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2,2-Difluoro-1,3-dioxaindan-4-amineHCID 2736891—
Reactant2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-oneHCID 57955574—
Product9-cyclopentyl-2-(2,2-difluorobenzo[d][1,3]dioxol-4-ylamino)-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-oneHCID 57955619—

Reaction Steps

The title compound was synthesized from 2-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one and 2,2-difluorobenzo[d][1,3]dioxol-4-amine using the procedure described in the general Buchwald Reaction Scheme. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.20-1.84 (m, 9 H) 3.97 (t, J=14.40 Hz, 2 H) 4.50-4.70 (m, 1 H) 7.14 (d, J=2.27 Hz, 1 H) 7.31 (dd, J=7.45, 2.15 Hz, 1 H) 8.21 (s, 1 H) 9.39 (s, 1 H). [M+H] calculated for C20H19F4N5O3, 454; found 454.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08318727B2
Source datasetuspto-grants-2012_11
ORD IDord-8fa4b61997584b8f8eafc3540615901a
Source noteuspto-grants-2012_11