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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1880831Generated: November 2, 2026

1-Amino-4-methylpiperazine → HCID 57955547, compound

https://huagongshe.com/reaction/1880831

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1-Amino-4-methylpiperazineHCID 81349—
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 57955547HCID 57955547—

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 4-methylpiperazin-1-amine. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.59-1.64 (m, 4 H) 1.67-1.75 (m, 2 H) 1.89-1.97 (m, 2 H) 2.79 (d, J=4.6 Hz, 3 H) 3.11-3.30 (m, 6 H) 3.32 (s, 3 H) 3.44 (d, J=12.6 Hz, 2 H) 3.93 (s, 3 H) 4.09 (t, J=13.9 Hz, 2 H) 4.76-4.81 (m, 1 H) 7.46 (d, J=8.3 Hz, 1 H) 7.48 (s, 3 H) 8.24 (d, J=8.34 Hz, 1 H) 8.27 (s, 1 H) 9.79 (s, 1 H). Melting point: 168-174° C. [M+H] calc'd for C26H34F2N8O3, 545; found 545.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08318727B2
Source datasetuspto-grants-2012_11
ORD IDord-30f3029158e6420cb37f9171af92f1ca
Source noteuspto-grants-2012_11