HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 76587Generated: October 27, 2026
1,4-Benzodioxan-6-ylamine → N2-(3,4-ethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine
https://huagongshe.com/reaction/76587
Participants
| Role | Name | HCID | Charge |
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| Reactant | 1,4-Benzodioxan-6-ylamine | HCID 89148 | — |
| Reactant | N4-[4-(N-benzylpiperazino)phenyl]-2-chloro-5-fluoro-4-pyrimidineamine | HCID 86591122 | — |
| Product | N2-(3,4-ethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine | HCID 83736650 | 127.1% |
Reaction Steps
In like manner to the preparation of N4-(3,4-ethylenedioxyphenyl)-N2-(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidineamine, the reaction of N4-[4-(N-benzylpiperazino)phenyl]-2-chloro-5-fluoro-4-pyrimidineamine (50 mg, 0.12 mmol) and 3,4-ethylenedioxyaniline (0.045 mL, 0.36 mmol) gave N4-[4-(N-benzylpiperazino)phenyl)]-N2-(3,4-ethylenedioxyphenyl)-5-fluoro-2,4-pyrimidinediamine (40 mg, 63%). 1H NMR (CDCl3): δ 2.64 (t, J=4.8 Hz, 4H), 3.20 (t, J=4.8 Hz, 4H), 3.59 (s, 2H), 4.24 (m, 4H), 6.61 (d, 1H, NH), 6.68 (br, 1H, NH), 6.76 (d, J=8.7 Hz, 1H), 6.88 (dd, J=2.4 and 8.7 Hz, 1H), 6.93 (d, J=8.7 Hz, 2H), 7.19 (d, J=2.4 Hz, 1H), 7.28-7.36 (m, 5H), 7.47 (d, J=8.7 Hz, 2H), 7.87 (d, J=3.3 Hz, 1H); 19F NMR (282 MHz, CDCl3): δ−168.66; LCMS: ret. time: 18.05 min.; purity: 100%; MS (m/e): 513.10 (MH+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08835430B2 |
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| Source dataset | uspto-grants-2014_09 |
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| ORD ID | ord-29ce5ff7e02d49bf8efbe6a1daa0406b |
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| Source note | uspto-grants-2014_09 |
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