참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Hydrochloric Acid | HCID 313 | — |
| 반응물 | 4-(Trifluoromethyl)aniline | HCID 9964 | — |
| 반응물 | 5-Amino-4,6-dichloropyrimidine | HCID 79434 | — |
| 용매 | Ethanol | HCID 702 | — |
| 생성물 | 6-Chloro-N4-(4-trifluoromethyl-phenyl)-pyrimidine-4,5-diamine hydrochloride | HCID 86631266 | 70.1% |
반응 단계
A mixture of 5-amino-4,6-dichloropyrimidine (10.0 g, 61.0 mmol, 1.0 eq), 4-trifluoromethylaniline (8.34 mL, 67.1 mmol, 1.1 eq), EtOH (80 mL), and concentrated HCl (2.5 mL, 30.5 mmol, 0.5 eq) was heated to 80° C. for 24 h and then cooled to rt. The resulting precipitate was collected by filtration, rinsed with EtOH, and dried under vacuum at 50° C. for 18 h to provide the title compound as a white solid (13.9 g, 70%). MS (ESI): mass calcd. for C11H9ClF3N4 [M+H]+, 289.0; m/z found, 289.0. 1H NMR (d6-DMSO): 9.26 (s, 1H), 8.01 (d, J=8.5 Hz, 2H), 7.94 (s, 1H), 7.67 (d, J=8.6 Hz, 2H), 6.41 (br s, 3H).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US09440978B2 |
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| 출처 데이터셋 | uspto-grants-2016_09 |
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| ORD ID | ord-772409fb207d47ce82807bc0702d7595 |
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| 출처 메모 | uspto-grants-2016_09 |
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