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Cyclohexyl isocyanide → HCID 178455701, 화합물

HRID 1510160
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HRID 1510160 반응식
[CH:1]([O:4][C:5]1[CH:6]=[C:7]([CH:18]=[CH:19][CH:20]=1)[CH2:8][N:9]1[CH2:14][CH2:13][C:12](=O)[CH2:11][CH:10]1[CH:16]=[CH2:17])([CH3:3])[CH3:2].[CH:21]1([N+:27]#[C-:28])[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1.[O-:29][C:30]#[N:31].[K+].Cl.[F:34][C:35]1[CH:36]=[C:37]([CH:39]=[CH:40][CH:41]=1)[NH2:38]>CO.O>[CH:21]1([NH:27][C:28]2[C@:12]3([CH2:13][CH2:14][N:9]([CH2:8][C:7]4[CH:18]=[CH:19][CH:20]=[C:5]([O:4][CH:1]([CH3:3])[CH3:2])[CH:6]=4)[C@@H:10]([CH:16]=[CH2:17])[CH2:11]3)[N:38]([C:37]3[CH:39]=[CH:40][CH:41]=[C:35]([F:34])[CH:36]=3)[C:30](=[O:29])[N:31]=2)[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 79129Cyclohexyl isocyanide2회HCID 27557653-Fluorophenylamine hydrochloride2회HCID 11378442Potassium cyanate2회HCID 66790112HCID 66790112, 화합물

생성물 1

HCID 178455701HCID 178455701, 화합물

시약·촉매·용매 2

HCID 887
Methanol
용매
HCID 962Water용매

실험 절차

1-(3-isopropoxybenzyl)-2-vinylpiperidin-4-one (7.00 g, 25.6 mmol) in methanol (14 ml) was added cyclohexyl isocyanide (3.17 ml, 25.6 mmol) then potassium cyanate (2.08 g, 25.6 mmol) in water (5 ml) was added. 3-Fluoroaniline hydrochloride (3.78 g, 25.6 mmol) was then added at 0° C. The mixture was stirred at rt for 12 hrs. The reaction was incomplete and another half equivalent of cyclohexyl isocyanide (1.59 ml, 12.8 mmol), potassium cyanate (1.04 g, 12.8 mmol), and 3-fluoroaniline hydrochloride (1.89 g, 12.8 mmol) was added. The mixture stirred for an additional twelve hours. The solution was concentrated and purified on silica gel 7% methanol/chloroform with 0.1% triethylamine. The impure product was purified a second time by flash chromatography on silica gel starting with 50% ethyl acetate/hexanes to 100% ethyl acetate. The diastereomers were resolved on a Chiral AD column 10% ethanol/hexanes with 0.3% diethylamine 250 ml/min at 250 nm.

후처리

  1. stirringThe mixture stirred for an additional twelve hours
  2. concentrationThe solution was concentrated
  3. custompurified on silica gel 7% methanol/chloroform with 0.1% triethylamine
  4. customThe impure product was purified a second time by flash chromatography on silica gel starting with 50% ethyl acetate/hexanes to 100% ethyl acetate

출처 및 근거

ORD 기록
ord-d57fd99f377a42fe926833ef7ecc89ab
출처 데이터셋
uspto-grants-2012_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08211904B2

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