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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 914112Generated: October 31, 2026

Ammonium Chloride → HCID 57955598, compound

https://huagongshe.com/reaction/914112

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAmmonium ChlorideHCID 25517—
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 57955598HCID 57955598—

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 ammonium chloride. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.10-1.41 (m, 3H) 1.54-1.86 (m, 7H) 3.32 (s, 3H) 3.93 (s, 3H) 4.17 (t, J=12.5 Hz, 2H) 4.44-4.55 (m, 1H) 7.33 (s, 1H) 7.55 (d, J=8.3 Hz, 1H) 7.59 (s, 1H) 7.99 (s, 1H) 8.13 (d, J=8.1 Hz, 1H) 8.24 (s, 1H) 8.61 (s, 1H). [M+H] calc'd for C22H26F2N6O3 461. found 461.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08026234B2
Source datasetuspto-grants-2011_09
ORD IDord-fc3dfa2910b44a738a8dae8d3b18e6d7
Source noteuspto-grants-2011_09