Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 445967생성일: 2026년 10월 24일
Sodium Bicarbonate → 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
https://huagongshe.com/ko/reaction/445967
참여 물질
| 역할 | 이름 | HCID | 투입량 |
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| 반응물 | Sodium Bicarbonate | HCID 516892 | — |
| 반응물 | 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one | HCID 11306691 | — |
| 반응물 | (3S)-3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one | HCID 11432118 | — |
| 반응물 | Dibezoyl-L-tartaric acid monohydrate | HCID 130366077 | — |
| 용매 | Ethyl Acetate | HCID 8857 | — |
| 용매 | Isopropanol methanol | HCID 21255859 | — |
| 생성물 | 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one | HCID 11306691 | — |
| 생성물 | dibenzoyl-L(+)tartaric acid | HCID 12362976 | — |
반응 단계
Dibenzoyl-L-tartaric acid salt of 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine was prepared by reacting 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine (1.0 mole) with Dibezoyl-L-tartaric acid monohydrate (1.18 molar equivalent) in IPA-methanol at 25-70° C. till solid mass precipitated out. The salt was filtered and washed with IPA; an enantiomerically enriched desired isomer was obtained. The salt was taken into ethyl acetate. It was basified with aq. NaHCO3. Ethyl acetate layer was separated and washed with water and brine solution. Ethyl acetate extract was collected and dried over anhydrous sodium sulfate. Ethyl acetate was distilled out to obtain a mixture of (2R) and (2S)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine (% Purity by HPLC-98%; % Chiral purity by HPLC of R-isomer 70%).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08476437B2 |
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| 출처 데이터셋 | uspto-grants-2013_07 |
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| ORD ID | ord-8a21793e304f4c3eba9538e618a0eba4 |
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| 출처 메모 | uspto-grants-2013_07 |
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