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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Trifluoroacetic acid → n-((1r)-1-[(4-Chlorophenyl)methyl]-2-{4-[2-(methoxycarbonylamino)phenyl]piperidyl}-2-oxoethyl)-((3s)(3-1,2,3,4-tetrahydroisoquinolyl))carboxamide trifluoroacetate

HRID 489704
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HRID 489704 반응식
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C@@H:9]([NH:29][C:30]([C@@H:32]2[CH2:41][C:40]3[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=3)[CH2:34][N:33]2C(OC(C)(C)C)=O)=[O:31])[C:10]([N:12]2[CH2:17][CH2:16][CH:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[NH:24][C:25]([O:27][CH3:28])=[O:26])[CH2:14][CH2:13]2)=[O:11])=[CH:4][CH:3]=1.[C:49]([OH:55])([C:51]([F:54])([F:53])[F:52])=[O:50]>C(Cl)Cl>[F:52][C:51]([F:54])([F:53])[C:49]([OH:55])=[O:50].[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C@@H:9]([NH:29][C:30]([C@@H:32]2[CH2:41][C:40]3[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=3)[CH2:34][NH:33]2)=[O:31])[C:10]([N:12]2[CH2:17][CH2:16][CH:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=3[NH:24][C:25]([O:27][CH3:28])=[O:26])[CH2:14][CH2:13]2)=[O:11])=[CH:4][CH:3]=1
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참가 물질

4

반응물 2

HCID 6422Trifluoroacetic acidHCID 69151559tert-Butyl 3-[N-((1R)-1-[(4-chlorophenyl)-methyl]-2-{4-[2-(methoxycarbonylamino)-phenyl]-piperidyl}-2-oxoethyl)carbamoyl](3S)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

생성물 1

HCID 23587434n-((1r)-1-[(4-Chlorophenyl)methyl]-2-{4-[2-(methoxycarbonylamino)phenyl]piperidyl}-2-oxoethyl)-((3s)(3-1,2,3,4-tetrahydroisoquinolyl))carboxamide trifluoroacetate

시약·촉매·용매 1

HCID 6344
Dichloromethane
용매

실험 절차

The title compound was prepared according to the procedure described in Example 3 (Step b) using tert-butyl 3-[N-((1R)-1-[(4-chlorophenyl)methyl]-2-(4-[2-(methoxycarbonylamino)-phenyl]-piperidyl}-2-oxoethyl)-carbamoyl](3S)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate (Step a) (412 mg, 0.61 mmol) and 50% TFA in CH2Cl2 (20 mL). Purification by reverse phase preparative HPLC [Phenomenex; 5 μm 250×21.2 mm, 5% to 95% CH3CN (0.1% TFA) in H2O (0.1% TFA) over 30 min, then 100% CH3CN (0.1% TFA) for 2 min] provided the title compound as a white foam (159 mg). MS (ESI, pos. ion) m/z: 575 (M+1); (ESI, neg. ion) m/z: 573 (M−1). Calc'd for C32H35ClN4O4: 574.23. Anal. Calcd for C32H35ClN4O4.18C2HF3O2: C, 57.45; H, 5.06; N, 7.75. Found: C, 57.66; H, 5.09; N, 7.62.

후처리

  1. customThe title compound was prepared
  2. customPurification by reverse phase preparative HPLC [Phenomenex

출처 및 근거

ORD 기록
ord-81be2e44c2dd4cc4a121371a3e55597c
출처 데이터셋
uspto-grants-2005_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06977264B2

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