홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Hydrochloric Acid → HCID 67068023, 화합물

HRID 1037333
노트
인쇄 미리보기

반응식

HRID 1037333 반응식
[CH3:1][N:2]1[C:6]2=[C:7]3[C:12](=[CH:13][CH:14]=[C:5]2[CH:4]=[N:3]1)[C:11](=[O:15])[C:10]([C:16]1[CH:17]=[CH:18][C:19]([C:22]2([NH:26]S(C(C)(C)C)=O)[CH2:25][CH2:24][CH2:23]2)=[N:20][CH:21]=1)=[C:9]([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[O:8]3.[ClH:39].O1CCOCC1>CO>[ClH:39].[NH2:26][C:22]1([C:19]2[N:20]=[CH:21][C:16]([C:10]3[C:11](=[O:15])[C:12]4[C:7]([O:8][C:9]=3[C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=3)=[C:6]3[N:2]([CH3:1])[N:3]=[CH:4][C:5]3=[CH:14][CH:13]=4)=[CH:17][CH:18]=2)[CH2:25][CH2:24][CH2:23]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 670678412-Methyl-propane-2-sulfinic acid {1-[5-(1-methyl-6-oxo-8-phenyl-1,6-dihydro-9-oxa-1,2-diaza-cyclopenta[a]naphthalen-7-yl)-pyridin-2-yl]-cyclobutyl}-amide

생성물 1

HCID 67068023HCID 67068023, 화합물수율 82%

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

To a solution of 2-methyl-propane-2-sulfinic acid {1-[5-(1-methyl-6-oxo-8-phenyl-1,6-dihydro-9-oxa-1,2-diaza-cyclopenta[a]naphthalen-7-yl)-pyridin-2-yl]-cyclobutyl}-amide (34 mg, 0.0645 mmol) in MeOH (6 mL) was added a solution of HCl in dioxane (4 M, 0.32 mL, 1.28 mmol). The reaction mixture was stirred at RT for 30 min before evaporating to dryness. The resulting residue was dissolved in a mixture of MeOH (1 mL), water (4 mL) and then chromatographed on a 5 g C18 cartridge {gradient 20 to 60% MeOH in water+1 M HCl (60 μL in each 10 mL of eluent)} to give the title compound (24.3 mg, 82%) as an off-white solid. 1H NMR (400 MHz, DMSO-d6): δ 8.78 (br s, 3H), 8.41 (dd, J=2.2 and 0.8 Hz, 1H), 8.29 (s, 1H), 7.89-7.81 (m, 3H), 7.75 (d, J=8.3 Hz, 1H), 7.59-7.57 (m, 2H), 7.51-7.41 (m, 3H), 4.41 (s, 3H), 2.60-2.55 (m, 4H), 2.26-2.15 (m, 1H), 2.05-1.94 (m, 1H). LCMS (Method E): =3.22 min, [M+H]+=423.

후처리

  1. custombefore evaporating to dryness
  2. dissolutionThe resulting residue was dissolved in a mixture of MeOH (1 mL), water (4 mL)
  3. customchromatographed on a 5 g C18 cartridge {gradient 20 to 60% MeOH in water+1 M HCl (60 μL in each 10 mL of eluent)}

출처 및 근거

ORD 기록
ord-5df6d7a7f6694137bd126790c5f26e2a
출처 데이터셋
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08546376B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트