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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1880901Generated: October 29, 2026

Cyclopropylamine → HCID 25254939, compound

https://huagongshe.com/reaction/1880901

Reaction equation

Participants

RoleNameHCIDCharge
ReactantCyclopropylamineHCID 69828—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acidHCID 25253680—
ProductHCID 25254939HCID 25254939—

Reaction Steps

The title compound was synthesized from 4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid as described in the General procedure for amide bond synthesis using HATU and cyclopropylamine. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.50-0.61 (m, 2 H) 0.70 (dd, J=7.07, 2.27 Hz, 2 H) 1.31-1.48 (m, 2 H) 1.51-1.70 (m, 4 H) 1.71-1.91 (m, 4 H) 2.81 (dt, J=7.14, 3.63 Hz, 1 H) 3.17 (s, 3 H) 3.93 (s, 3 H) 4.03 (q, J=7.07 Hz, 2 H) 4.46 (t, J=11.62 Hz, 1 H) 7.40-7.55 (m, 2 H) 7.90 (s, 1 H) 8.21 (s, 1 H) 8.26 (d, J=8.34 Hz, 1 H) 8.37 (d, J=3.79 Hz, 1 H). [M+H] C25H30F2N6O3 calc'd for, 501; found 501.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08318727B2
Source datasetuspto-grants-2012_11
ORD IDord-167848f9137a4a66acb996fca75a5988
Source noteuspto-grants-2012_11