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

Hydrochloric Acid → ({[(14-Cyclohexyl-3-methoxy-6-methyl-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocin-11-yl)carbonyl]amino}sulfonyl)acetic acid

HRID 1714000
노트
인쇄 미리보기

반응식

HRID 1714000 반응식
C[O:2][C:3](=[O:39])[CH2:4][S:5]([NH:8][C:9]([C:11]1[CH:12]=[CH:13][C:14]2[C:15]([CH:33]3[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]3)=[C:16]3[C:23]4[CH:24]=[CH:25][C:26]([O:28][CH3:29])=[CH:27][C:22]=4[CH2:21][N:20]([CH3:30])[CH2:19][CH2:18][N:17]3[C:31]=2[CH:32]=1)=[O:10])(=[O:7])=[O:6].O.[OH-].[Na+].Cl>O1CCOCC1>[CH:33]1([C:15]2[C:14]3[CH:13]=[CH:12][C:11]([C:9]([NH:8][S:5]([CH2:4][C:3]([OH:39])=[O:2])(=[O:7])=[O:6])=[O:10])=[CH:32][C:31]=3[N:17]3[CH2:18][CH2:19][N:20]([CH3:30])[CH2:21][C:22]4[CH:27]=[C:26]([O:28][CH3:29])[CH:25]=[CH:24][C:23]=4[C:16]=23)[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 14798Sodium HydroxideHCID 11613717HCID 11613717, 화합물

생성물 1

HCID 42640441({[(14-Cyclohexyl-3-methoxy-6-methyl-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocin-11-yl)carbonyl]amino}sulfonyl)acetic acid수율 72%

시약·촉매·용매 1

HCID 31275
1,4-Dioxane
용매

실험 절차

To a solution of methyl({[(14-cyclohexyl-3-methoxy-6-methyl-5,6,7,8-tetrahydroindolo[2,1-a][2,5]benzodiazocin-11-yl)carbonyl]amino}sulfonyl)acetate (from example 5) in dioxane (0.04 M) was added an equal volume of water and 4 eq of NaOH (1 N aqueous solution). The reaction was stirred vigorously at RT for 1 h. The reaction was acidified with aqueous HCl (1 N) and reduced in vacuo to remove dioxane. The resultant aqueous slurry was diluted with MeCN and water and freeze dried to leave a white powder. The crude was then purified by automated RP-MS-HPLC (stationary phase: column Waters XTERRA prep. C18, 5 um, 19×100 mm. Mobile phase: MeCN/H2O buffered with 0.1% TFA). Fractions containing the pure compound were combined and freeze dried to afford the title compound as a white powder (72%).

후처리

  1. customto remove dioxane
  2. additionThe resultant aqueous slurry was diluted with MeCN and water and freeze
  3. customdried
  4. customto leave a white powder
  5. customThe crude was then purified by automated RP-MS-HPLC (stationary phase: column Waters XTERRA prep. C18, 5 um, 19×100 mm. Mobile phase: MeCN/H2O buffered with 0.1% TFA)
  6. additionFractions containing the pure compound
  7. customfreeze dried

출처 및 근거

ORD 기록
ord-5c9dd2bed41b4fffabfe682f6d29ca11
출처 데이터셋
uspto-grants-2010_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07795247B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트