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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1880827Generated: November 2, 2026

Propylamine → HCID 25252906, compound

https://huagongshe.com/reaction/1880827

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPropylamineHCID 7852—
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-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acidHCID 25252905—
ProductHCID 25252906HCID 25252906—

Reaction Steps

The title compound was synthesized from 4-(9-Cyclopentyl-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 1-propylamine. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.57 (dd, J=3.66, 2.40 Hz, 2 H) 0.70 (dd, J=6.95, 2.15 Hz, 2 H) 1.50-1.77 (m, 6 H) 1.88-1.97 (m, 2 H) 2.82 (td, J=7.33, 3.54 Hz, 1 H) 3.17 (s, 3 H) 3.92 (s, 3 H) 3.99-4.08 (m, 3 H) 4.75 (d, J=8.84 Hz, 1 H) 7.40-7.51 (m, 2 H) 7.96 (s, 1 H) 8.26 (d, J=8.34 Hz, 1 H) 8.35 (d, J=4.04 Hz, 1 H). [M+H] C24H28F2N6O3 calc'd for, 487; found 487.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08318727B2
Source datasetuspto-grants-2012_11
ORD IDord-4d23112e13244bcf8a4278ad132ef2a6
Source noteuspto-grants-2012_11