HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1880884Generated: November 2, 2026
N,N-Dimethyl-1,3-propanediamine → HCID 25254308, compound
https://huagongshe.com/reaction/1880884
Participants
| Role | Name | HCID | Charge |
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| Reactant | N,N-Dimethyl-1,3-propanediamine | HCID 7993 | — |
| Reactant | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| Reactant | 4-(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 acid | HCID 25253680 | — |
| Product | HCID 25254308 | HCID 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, 2 H) 1.43-1.57 (m, 3 H) 1.58-1.80 (m, 2 H) 2.67 (m, 6 H) 2.91-3.01 (m, 2 H) 3.20 (br.s., 3 H) 3.22 (m, 2 H) 3.82 (s, 3 H) 4.02 (t, J=13.0 Hz, 2 H) 4.36 (quin., 1 H) 7.39 (d, J=6.1 Hz, 1 H) 7.43 (br. s., 1 H) 8.09 (d, J=8.8 Hz, 1 H) 8.10-8.13 (m, 1 H) 8.31 (br. s., 1 H) 8.50 (br. s., 1 H). [M+H] calc'd for C27H37F2N7O3 546; found 546.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08318727B2 |
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| Source dataset | uspto-grants-2012_11 |
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| ORD ID | ord-53dc581cca1a47498f768639eae3c1bd |
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| Source note | uspto-grants-2012_11 |
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