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Toluene → HCID 178477537, 화합물

HRID 538365
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HRID 538365 반응식
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Br:20][C:21]1[N:26]=[C:25]([C@@:27](O)([CH3:42])[CH2:28][NH:29][S:30]([C:33]2[CH:38]=[CH:37][C:36]([N+:39]([O-:41])=[O:40])=[CH:35][CH:34]=2)(=[O:32])=[O:31])[C:24]([F:44])=[C:23]([Si:45]([CH2:50][CH3:51])([CH2:48][CH3:49])[CH2:46][CH3:47])[CH:22]=1.N(C(OCC)=O)=NC(OCC)=O.C1(C)C=CC=CC=1>C1COCC1>[Br:20][C:21]1[N:26]=[C:25]([C:27]2([CH3:42])[CH2:28][N@@:29]2[S:30]([C:33]2[CH:38]=[CH:37][C:36]([N+:39]([O-:41])=[O:40])=[CH:35][CH:34]=2)(=[O:32])=[O:31])[C:24]([F:44])=[C:23]([Si:45]([CH2:50][CH3:51])([CH2:48][CH3:49])[CH2:46][CH3:47])[CH:22]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 86668073(R)-N-(2-(6-bromo-3-fluoro-4-(triethylsilyl)pyridin-2-yl)-2-hydroxypropyl)-4-nitrobenzenesulfonamide

생성물 1

HCID 178477537HCID 178477537, 화합물수율 79.8%

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매

실험 절차

A solution of triphenylphosphine (21.55 g, 82 mmol) and (R)—N-(2-(6-bromo-3-fluoro-4-(triethylsilyl)pyridin-2-yl)-2-hydroxypropyl)-4-nitrobenzenesulfonamide (37.56 g, 69 mmol) in 510 ml THF was cooled to 4° C. A solution of diethyl azodicarboxylate in toluene (40% by weight, 38.8 g, 89 mmol) was added in a dropwise while maintaining the temperature below 10° C. The cooling bath was removed and the rm was stirred at rt for 1 h. The reaction mixture was diluted with approx. 1000 ml toluene and THF was removed by evaporation at the rotavap. The resulting toluene solution of crude product was pre-purified on a silca gel column by eluting with hexanes/5-17% EtOAc. Purest fractions were combined, evaporated and crystallized from TBME/hexane to yield 29.2 g of the title compound as white crystals.

후처리

  1. temperaturewhile maintaining the temperature below 10° C
  2. customThe cooling bath was removed
  3. additionThe reaction mixture was diluted with approx. 1000 ml toluene and THF
  4. customwas removed by evaporation at the rotavap
  5. customThe resulting toluene solution of crude product was pre-purified on a silca gel column
  6. washby eluting with hexanes/5-17% EtOAc
  7. customevaporated
  8. customcrystallized from TBME/hexane

출처 및 근거

ORD 기록
ord-163af5c3ac0849e5b3412033437c826f
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08865712B2

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