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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1-Boc-Azetidine-3-carboxylic acid → tert-Butyl 3-[({5-[(6,7-dichloro-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorophenyl}amino)carbonyl]azetidine-1-carboxylate

HRID 1172798
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HRID 1172798 반응식
[C:1]([N:8]1[CH2:11][CH:10]([C:12]([OH:14])=O)[CH2:9]1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.FC(F)(F)C([O-])=O.[Cl:46][C:47]1[N:51]2[C:52]([CH2:57][C:58]3[CH:59]=[CH:60][C:61]([F:65])=[C:62]([NH3+:64])[CH:63]=3)=[CH:53][NH:54][C:55](=[O:56])[C:50]2=[CH:49][C:48]=1[Cl:66]>CN(C1C=CN=CC=1)C.CN(C=O)C.O.CC#N>[Cl:46][C:47]1[N:51]2[C:52]([CH2:57][C:58]3[CH:59]=[CH:60][C:61]([F:65])=[C:62]([NH:64][C:12]([CH:10]4[CH2:9][N:8]([C:1]([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])=[O:2])[CH2:11]4)=[O:14])[CH:63]=3)=[CH:53][NH:54][C:55](=[O:56])[C:50]2=[CH:49][C:48]=1[Cl:66]
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참가 물질

8

반응물 3

HCID 27559811-Boc-Azetidine-3-carboxylic acidHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 866334295-[(6,7-Dichloro-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzenaminium trifluoroacetate

생성물 1

HCID 86633428tert-Butyl 3-[({5-[(6,7-dichloro-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorophenyl}amino)carbonyl]azetidine-1-carboxylate

시약·촉매·용매 4

HCID 142844-(Dimethylamino)pyridine촉매HCID 962Water용매HCID 6228Dimethylformamide용매HCID 6342Acetonitrile용매

실험 절차

A solution of 1-Boc-Azetidine-3-carboxilic acid (1.35 eq), HATU (1.35 eq) and DMAP (1.35 eq) in DMF (0.1 M) was stirred at RT for 20 min and then Example 14, N2 (1 eq) was added. The mixture was stirred overnight at RT and the product was isolated by purification by prep RP-HPLC using H2O (+0.1% TFA) and MeCN (+0.1% TFA) as eluents (C18 column). The desired fractions were evaporated to afford the desired compound. 1H NMR (300 MHz, DMSO-d6) δ: 10.89 (1H, d, J=5.6 Hz), 9.80 (1H, s), 7.78-7.69 (1H, m), 7.23-7.14 (2H, m), 7.00-6.91 (1H, m), 6.52 (1H, d, J=5.8 Hz), 4.31 (2H, s), 4.00-3.85 (3H, m), 3.62-3.49 (1H, m), 1.38 (9H, s). MS (ES) C23H23Cl2FN4O4 requires: 508, found: 509 (M+H)+.

후처리

  1. customthe product was isolated by purification by prep RP-HPLC
  2. customThe desired fractions were evaporated

출처 및 근거

ORD 기록
ord-6298f028900d4d718404328df46307fe
출처 데이터셋
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07834015B2

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