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Methanol → Methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate

HRID 2074366
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HRID 2074366 반응식
[CH3:1][C:2]1[C:7]([CH:8]=O)=[CH:6][CH:5]=[C:4]([CH3:10])[N:3]=1.Cl.[CH3:12][O:13][C:14](=[O:21])[C@@H:15]([C@H:17]([CH2:19][CH3:20])[CH3:18])[NH2:16].C(N(CC)CC)C.[CH2:29]1[C:37]2[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=2)[CH2:31][CH:30]1[C@@H:38]([NH:42][C:43]([O:45][CH2:46][C:47]1[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=1)=[O:44])[C:39]([OH:41])=O.[CH2:53]([O:60][C:61]1[CH:66]=[CH:65][CH:64]=[CH:63][C:62]=1[N+:67]#[C-:68])[C:54]1[CH:59]=[CH:58][CH:57]=[CH:56][CH:55]=1.C[OH:70]>FC(F)(F)CO>[CH2:31]1[C:32]2[C:37](=[CH:36][CH:35]=[CH:34][CH:33]=2)[CH2:29][CH:30]1[C@@H:38]([NH:42][C:43]([O:45][CH2:46][C:47]1[CH:48]=[CH:49][CH:50]=[CH:51][CH:52]=1)=[O:44])[C:39]([N:16]([CH:8]([C:7]1[C:2]([CH3:1])=[N:3][C:4]([CH3:10])=[CH:5][CH:6]=1)[C:68](=[O:70])[NH:67][C:62]1[CH:63]=[CH:64][CH:65]=[CH:66][C:61]=1[O:60][CH2:53][C:54]1[CH:55]=[CH:56][CH:57]=[CH:58][CH:59]=1)[C@@H:15]([C:14]([O:13][CH3:12])=[O:21])[C@H:17]([CH2:19][CH3:20])[CH3:18])=[O:41]
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참가 물질

8

반응물 6

HCID 887MethanolHCID 8471TriethylamineHCID 27847532,6-DimethylnicotinaldehydeHCID 51261571-(Benzyloxy)-2-isocyanobenzeneHCID 11631222(R)-Benzyloxycarbonylamino-indan-2-yl-acetic acidHCID 12890355D-Alloisoleucine, methyl ester, hydrochloride (1:1)

생성물 1

HCID 57722468
Methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate

시약·촉매·용매 1

HCID 64092,2,2-Trifluoroethanol용매

실험 절차

2,6-dimethylpyridine-3-carboxaldehyde (Aurora Feinchemie GmbH) (2.00 g, 16.1 mmol) and (D)-alloisoleucine methyl ester hydrochloride (2.93 g, 16.1 mmol) in methanol (50 mL) and 2,2,2-trifluoroethanol (50 mL) were treated with triethylamine (2.24 mL, 16.1 mmol) and the mixture was stirred under nitrogen at room temperature for 20 h. (2R)-2,3-dihydro-1H-inden-2-yl({[(phenylmethyl)oxy]carbonyl}amino)ethanoic acid (5.24 g, 16.1 mmol) and 2-benzyloxyphenylisonitrile (3.37 g, 16.1 mmol) were added and the mixture was stirred at room temperature under nitrogen for 4 days. The mixture was concentrated under reduced pressure then partitioned between ethyl acetate (150 mL) and water (150 mL) plus saturated aqueous sodium hydrogen carbonate (6 mL). The aqueous phase was back-extracted with ethyl acetate (50 mL) and the combined organic extracts were washed successively with semi-saturated aqueous solutions of sodium hydrogen carbonate, ammonium chloride and sodium chloride (100 mL each), dried over anhydrous magnesium sulphate and evaporated under reduced pressure to give the crude product (12.01 g). This was purified on a Redisep silica column (330 g) eluted with 20-50% ethyl acetate in cyclohexane to afford 7.46 g of the title compound as a pair of diastereomers.

후처리

  1. additionwere added
  2. concentrationThe mixture was concentrated under reduced pressure
  3. customthen partitioned between ethyl acetate (150 mL) and water (150 mL) plus saturated aqueous sodium hydrogen carbonate (6 mL)
  4. extractionThe aqueous phase was back-extracted with ethyl acetate (50 mL)
  5. washthe combined organic extracts were washed successively with semi-saturated aqueous solutions of sodium hydrogen carbonate, ammonium chloride and sodium chloride (100 mL each)
  6. dry with materialdried over anhydrous magnesium sulphate
  7. customevaporated under reduced pressure
  8. customto give the crude product (12.01 g)
  9. customThis was purified on a Redisep silica column (330 g)
  10. washeluted with 20-50% ethyl acetate in cyclohexane

출처 및 근거

ORD 기록
ord-4e0544955c5b49929a7408175fc6dad6
출처 데이터셋
uspto-grants-2011_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07919492B2

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