Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 926112생성일: 2026년 10월 26일
Potassium Phosphate, Tribasic → 12-(3,4-Dimethoxyphenyl)-8-[(4-methoxyphenyl)methyl]-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
https://huagongshe.com/reaction/926112
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Potassium Phosphate, Tribasic | HCID 62657 | — |
| 반응물 | 3,4-Dimethoxyphenylboronic acid | HCID 2734702 | — |
| 반응물 | 9-bromo-6-(4-methoxybenzyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one | HCID 86705385 | — |
| 촉매 | Bis(dibenzylideneacetone)palladium | HCID 9811564 | — |
| 용매 | 1,2-Dimethoxyethane | HCID 8071 | — |
| 생성물 | 12-(3,4-Dimethoxyphenyl)-8-[(4-methoxyphenyl)methyl]-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one | HCID 118135066 | 7.1% |
반응 단계
9-Bromo-6-(4-methoxybenzyl)pyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one (Example 1, 75 mg, 0.19 mmol), 3,4-dimethoxyphenylboronic acid (75 mg, 0.41 mmol), potassium phosphate (104 mg, 0.49 mmol) and DME (3 mL) were combined and nitrogen was bubbled through for 10 minutes. Pd2(dba)3 (13 mg, 0.01 mmol) was added and the mixture was heated for 2 h at 120° C. in the microwave. Purification (HPLC, 10-80% ACN-water) afforded the title compound (6 mg, 7%) as a white solid. 1H NMR (400 MHz, CDCl3) δ 3.76 (s, 3H), 3.96 (s, 3H), 3.99 (s, 3H), 5.78 (s, 2H), 6.83-6.84 (m, 2H), 7.02 (d, J=6.7 Hz, 1H), 7.15 (d, J=1.6 Hz, 1H), 7.24 (dd, J=6.7, 1.5 Hz, 1H), 7.62-7.64 (m, 2H), 8.37 (s, 1H), 8.76 (d, J=1.9 Hz, 1H), 8.99 (d, J=1.9 Hz, 1H). [M+H]=444.2.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US09284335B2 |
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| 출처 데이터셋 | uspto-grants-2016_03 |
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| ORD ID | ord-98b1c177f1af4214ae93e9e4b533285e |
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| 출처 메모 | uspto-grants-2016_03 |
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