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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Methanesulfonic Acid → 1-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1-(5-chlorothien-2-ylmethyl)-1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl) pyrrolidine methanesulfonic acid salt

HRID 323320
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HRID 323320 반응식
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:46]=[C:47]([O:51][CH3:52])[C:48]=1[O:49][CH3:50])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:21][CH2:22][N:23]2[CH2:28][CH2:27][CH:26]([NH:29][C:30]3[N:34]([CH2:35][C:36]4[S:37][C:38]([Cl:41])=[CH:39][CH:40]=4)[C:33]4[CH:42]=[CH:43][CH:44]=[CH:45][C:32]=4[N:31]=3)[CH2:25][CH2:24]2)([C:13]2[CH:18]=[CH:17][C:16]([F:19])=[C:15]([F:20])[CH:14]=2)[CH2:9]1)=[O:7].[CH3:53][S:54]([OH:57])(=[O:56])=[O:55].C(OCC)(=O)C>CO>[CH3:53][S:54]([OH:57])(=[O:56])=[O:55].[CH3:52][O:51][C:47]1[CH:46]=[C:5]([CH:4]=[C:3]([O:2][CH3:1])[C:48]=1[O:49][CH3:50])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:21][CH2:22][N:23]2[CH2:28][CH2:27][CH:26]([NH:29][C:30]3[N:34]([CH2:35][C:36]4[S:37][C:38]([Cl:41])=[CH:39][CH:40]=4)[C:33]4[CH:42]=[CH:43][CH:44]=[CH:45][C:32]=4[N:31]=3)[CH2:25][CH2:24]2)([C:13]2[CH:18]=[CH:17][C:16]([F:19])=[C:15]([F:20])[CH:14]=2)[CH2:9]1)=[O:7]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 98535341-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(5-chlorothien-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl) Pyrrolidine

생성물 1

HCID 220092511-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1-(5-chlorothien-2-ylmethyl)-1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl) pyrrolidine methanesulfonic acid salt

시약·촉매·용매

1
HCID 887Methanol용매

실험 절차

Combine 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(5-chlorothien-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-difluorophenyl) pyrrolidine (1.21 g, 1.61 mmol), and methanesulfonic acid (0.23 mL, 3.54 mmol), ethyl acetate (90 mL), and methanol (10 mL) and stir. After 18 hours, filter and evaporate the filtrate in vacuo to give a residue. Triturate the residue with diethyl ether to give a solid. Decant the solvent and add diethyl ether. Collect the solid by filtration and dry in vacuo at 82° C. to give the title compound. Elemental Analysis calculated for C39H42ClF2N5O4S.2 CH3SO3H.1.8 H2O: C, 50.52; H, 5.54; N, 7.18. Found: C, 50.67; H, 5.38; N, 7.22.

후처리

  1. filtrationfilter
  2. customevaporate the filtrate in vacuo
  3. customto give a residue
  4. customTriturate the residue with diethyl ether
  5. customto give a solid
  6. customDecant the solvent
  7. additionadd diethyl ether
  8. customCollect the solid
  9. filtrationby filtration
  10. customdry in vacuo at 82° C.

출처 및 근거

ORD 기록
ord-613d6facb14b4056845072a6ef365cde
출처 데이터셋
uspto-grants-2001_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06211199B1

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