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Water → Ammonia

HRID 637060
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HRID 637060 반응식
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:37]=[C:38]([O:42][CH3:43])[C:39]=1[O:40][CH3:41])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:19][CH2:20][N:21]2[CH2:27][CH2:26][CH2:25][N:24]([C:28]3[NH:32][C:31]4[CH:33]=[CH:34][CH:35]=[CH:36][C:30]=4[N:29]=3)[CH2:23][CH2:22]2)([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH2:9]1)=[O:7].C([Li])(CC)C.S(O[CH2:54][CH2:55][S:56]([CH3:59])(=[O:58])=[O:57])(=O)(=O)C.O>O1CCCC1.CO.ClCCl>[NH3:8].[CH3:43][O:42][C:38]1[CH:37]=[C:5]([CH:4]=[C:3]([O:2][CH3:1])[C:39]=1[O:40][CH3:41])[C:6]([N:8]1[CH2:12][CH2:11][C:10]([CH2:19][CH2:20][N:21]2[CH2:27][CH2:26][CH2:25][N:24]([C:28]3[N:29]([CH2:54][CH2:55][S:56]([CH3:59])(=[O:58])=[O:57])[C:30]4[CH:36]=[CH:35][CH:34]=[CH:33][C:31]=4[N:32]=3)[CH2:23][CH2:22]2)([C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=2)[CH2:9]1)=[O:7]
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반응물 4

HCID 962WaterHCID 184644781-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidineHCID 184645972-(Methylsulfonyl)ethyl methanesulfonate2회HCID 178418400CID 536281003회

생성물 2

HCID 222Ammonia수율 0.5%
HCID 18464598
1-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1-(2-methylsulfonylethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine

시약·촉매·용매 2

HCID 8028Tetrahydrofuran용매2회HCID 21226129Dichloromethane methanol용매

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온도
-78 °C

실험 절차

Combine 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine (prepared from (−)-3-phenyl-3-(2-hydroxyethyl)pyrrolidine(R,R)-di-p-anisoyltartaric acid salt) (0.05 g, 0.09 mmol) and tetrahydrofuran (5 mL). Cool to −78° C. using a dry-ice/acetone bath. Add dropwise a solution of sec-butyllithium (0.15 mL, 1.3 M, 0.19 mmol). When the addition of sec-butyllithium is complete, add a solution 2-methylsulfonylethyl mesylate (0.02 g, 0.10 mmol) in tetrahydrofuran (2 mL). Heat the reaction mixture to reflux. After 12 hours, cool, add sec-butyllithium (0.10 mL) and 2-methylsulfonylethyl mesylate (0.02 g, 0.10 mmol) and again heat the reaction mixture to reflux. After 12 hours, cool, add water, separate the layers and extract the aqueous layer twice with ethyl acetate. Combine the organic layers, dry over Na2SO4, filter, and evaporate in vacuo to give a residue. Chromatograph the residue on silica gel eluting with 0.5% concentrated aqueous ammonia solution/5% methanol/dichloromethane to give the title compound: Rf=0.38 (silica gel, 0.5% concentrated aqueous ammonia solution/5% methanol/dichloromethane).

후처리

  1. temperatureHeat the reaction mixture
  2. temperatureto reflux
  3. temperaturecool
  4. temperatureagain heat the reaction mixture
  5. temperatureto reflux
  6. waitAfter 12 hours
  7. temperaturecool
  8. customseparate the layers
  9. extractionextract the aqueous layer twice with ethyl acetate
  10. dry with materialdry over Na2SO4
  11. filtrationfilter
  12. customevaporate in vacuo
  13. customto give a residue

출처 및 근거

ORD 기록
ord-770c6c4bc6414f819512a1c4e43908fc
출처 데이터셋
uspto-grants-2001_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06194406B1

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