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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 914130Generated: October 30, 2026

Cyclopropylamine → HCID 25254939, compound

https://huagongshe.com/reaction/914130

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, 2H) 0.70 (dd, J=7.07, 2.27 Hz, 2H) 1.31-1.48 (m, 2H) 1.51-1.70 (m, 4H) 1.71-1.91 (m, 4H) 2.81 (dt, J=7.14, 3.63 Hz, 1H) 3.17 (s, 3H) 3.93 (s, 3H) 4.03 (q, J=7.07 Hz, 2H) 4.46 (t, J=11.62 Hz, 1H) 7.40-7.55 (m, 2H) 7.90 (s, 1H) 8.21 (s, 1H) 8.26 (d, J=8.34 Hz, 1H) 8.37 (d, J=3.79 Hz, 1H). [M+H] C25H30F2N6O3 calc'd for, 501. found 501.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08026234B2
Source datasetuspto-grants-2011_09
ORD IDord-05d2c28528ea406aa514107c4e8750a8
Source noteuspto-grants-2011_09