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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Diisopropylethylamine → (1R,3S,5R)-2-[2-(3-Acetyl-5-benzyloxy-indazol-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carboxylic acid (2-fluoro-3-trifluoromethoxy-phenyl)-amide

HRID 1527606
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HRID 1527606 반응식
[C:1]([C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([O:13][CH2:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH:11]=2)[N:6]([CH2:21][C:22](O)=[O:23])[N:5]=1)(=[O:3])[CH3:2].FC(F)(F)C(O)=O.[F:32][C:33]1[C:38]([O:39][C:40]([F:43])([F:42])[F:41])=[CH:37][CH:36]=[CH:35][C:34]=1[NH:44][C:45]([C@@H:47]1[CH2:52][C@@H:51]2[C@@H:49]([CH2:50]2)[NH:48]1)=[O:46].CCCP(=O)=O.CCN(C(C)C)C(C)C>C(Cl)Cl>[F:32][C:33]1[C:38]([O:39][C:40]([F:43])([F:41])[F:42])=[CH:37][CH:36]=[CH:35][C:34]=1[NH:44][C:45]([C@@H:47]1[CH2:52][C@@H:51]2[C@@H:49]([CH2:50]2)[N:48]1[C:22](=[O:23])[CH2:21][N:6]1[C:7]2[C:12](=[CH:11][C:10]([O:13][CH2:14][C:15]3[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=3)=[CH:9][CH:8]=2)[C:4]([C:1](=[O:3])[CH3:2])=[N:5]1)=[O:46]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 81531DiisopropylethylamineHCID 16167369Propylphosphoric anhydrideHCID 68283788(3-Acetyl-5-benzyloxy-indazol-1-yl)-acetic acidHCID 86673879(1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid (2-fluoro-3-trifluoro methoxy-phenyl)-amide trifluoroacetate

생성물 1

HCID 68283070
(1R,3S,5R)-2-[2-(3-Acetyl-5-benzyloxy-indazol-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carboxylic acid (2-fluoro-3-trifluoromethoxy-phenyl)-amide

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a solution of (3-acetyl-5-benzyloxy-indazol-1-yl)-acetic acid (1.38 g, 4.30 mmol, prepared as described in Part A), (1R,3S,5R)-2-aza-bicyclo[3.1.0]hexane-3-carboxylic acid (2-fluoro-3-trifluoro methoxy-phenyl)-amide trifluoroacetate (1.80 g, 4.30 mmol) and propylphosphonic anhydride (50% in EtOAc, 3.80 ml, 6.46 mmol) in CH2Cl2 (40 ml) was added DIPEA (2.25 mL, 12.91 mmol) and the resulting mixture was stirred at RT for 2 h. The mixture was concentrated and the crude residue was purified by flash column chromatography on silica gel (c-hexane/EtOAc 1:0 to 0:1). MS (UPLC-MS): 611 [M+H]+; tR (HPLC conditions f): 2.40 min.

후처리

  1. concentrationThe mixture was concentrated
  2. customthe crude residue was purified by flash column chromatography on silica gel (c-hexane/EtOAc 1:0 to 0:1)
  3. custom2.40 min.

출처 및 근거

ORD 기록
ord-1cea46f57c7e4f1d8cb03e610a7eeefb
출처 데이터셋
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09085555B2

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