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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 914113Generated: October 29, 2026

N,N-Dimethyl-1,3-propanediamine → HCID 25254308, compound

https://huagongshe.com/reaction/914113

Reaction equation

Participants

RoleNameHCIDCharge
ReactantN,N-Dimethyl-1,3-propanediamineHCID 7993—
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 25254308HCID 25254308—

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 N,N-dimethyl-1,3-propanediamine. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.16-1.30 (m, 2H) 1.43-1.57 (m, 3H) 1.58-1.80 (m, 2H) 2.67 (m, 6H) 2.91-3.01 (m, 2H) 3.20 (br.s., 3H) 3.22 (m, 2H) 3.82 (s, 3H) 4.02 (t, J=13.0 Hz, 2H) 4.36 (quin., 1H) 7.39 (d, J=6.1 Hz, 1H) 7.43 (br. s., 1H) 8.09 (d, J=8.8 Hz, 1H) 8.10-8.13 (m, 1H) 8.31 (br. s., 1H) 8.50 (br. s., 1H). [M+H] calc'd for C27H37F2N7O3 546. found 546.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08026234B2
Source datasetuspto-grants-2011_09
ORD IDord-41f81baf215a401ca1b0856b7f64d3c6
Source noteuspto-grants-2011_09