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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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(4-Morpholin-4-yl-phenyl)-[5-(1,1,3-trioxo-2,3-dihydro-1H-1lambda6-benzo[d]isothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-carbamic acid tert-butyl ester → 6-[8-(4-Morpholin-4-yl-phenylamino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one

HRID 605931
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HRID 605931 반응식
C(OC(=O)[N:7]([C:29]1[CH:34]=[CH:33][C:32]([N:35]2[CH2:40][CH2:39][O:38][CH2:37][CH2:36]2)=[CH:31][CH:30]=1)[C:8]1[C:9]2[N:10]([N:26]=[CH:27][N:28]=2)[C:11]([C:14]2[CH:25]=[CH:24][C:17]3[C:18](=[O:23])[NH:19][S:20](=[O:22])(=[O:21])[C:16]=3[CH:15]=2)=[CH:12][N:13]=1)(C)(C)C>Cl.O1CCOCC1>[N:35]1([C:32]2[CH:33]=[CH:34][C:29]([NH:7][C:8]3[C:9]4[N:10]([N:26]=[CH:27][N:28]=4)[C:11]([C:14]4[CH:25]=[CH:24][C:17]5[C:18](=[O:23])[NH:19][S:20](=[O:22])(=[O:21])[C:16]=5[CH:15]=4)=[CH:12][N:13]=3)=[CH:30][CH:31]=2)[CH2:40][CH2:39][O:38][CH2:37][CH2:36]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 1

HCID 67047387(4-Morpholin-4-yl-phenyl)-[5-(1,1,3-trioxo-2,3-dihydro-1H-1lambda6-benzo[d]isothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-carbamic acid tert-butyl ester

생성물 1

HCID 575899666-[8-(4-Morpholin-4-yl-phenylamino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one수율 101.7%

시약·촉매·용매 2

HCID 313Hydrochloric Acid용매HCID 312751,4-Dioxane
용매

실험 절차

A suspension of (4-morpholin-4-yl-phenyl)-[5-(1,1,3-trioxo-2,3-dihydro-1H-1 λ6-benzo[d]isothiazol-6-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-carbamic acid tert-butyl ester (100 mg, 0.173 mmol) in 4M HCl (2.5 mL) in dioxane is stirred at room temperature for 2 hours. The solvent is removed under vacuum and the residue is triturated with DCM, diethyl ether and petroleum ether to afford the title compound (84 mg, 100%). 1H-NMR (400 MHz, d6-DMSO) δ (ppm) 3.25 (4H, m), 3.85 (4H, m), 7.20 (2H, d), 7.88 (2H, d), 8.16 (1H, d), 8.24 (1H, s), 8.58 (1H, d), 8.82 (2H, s), 8.96 (1H, s), 10.31 (1H, s). LCMS: Rt 2.31 min (95.7%), m/z (APCI) 478 (M+H)+.

후처리

  1. customThe solvent is removed under vacuum
  2. customthe residue is triturated with DCM, diethyl ether and petroleum ether

출처 및 근거

ORD 기록
ord-fdb2383bce434d3abf27ab43bb58d389
출처 데이터셋
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07915256B2

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