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Acetic Acid → HCID 69085270, 화합물

HRID 1374869
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HRID 1374869 반응식
[NH2:1][C@@H:2]([C:6]1[N:11]([CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[C:10](=[O:19])[C:9]([CH3:20])=[C:8]([CH3:21])[N:7]=1)[CH:3]([CH3:5])[CH3:4].[CH:22]1[N:23](CC=O)[CH:24]=[C:25]2[C:30]=1[CH:29]=[CH:28][CH:27]=[CH:26]2.[C:34]([OH:37])(=O)[CH3:35].C(O[BH-](OC(=O)C)OC(=O)C)(=[O:40])C.[Na+]>ClC(Cl)C.CCOC(C)=O.CCCCCC>[CH2:12]([N:11]1[C:10](=[O:19])[C:9]([CH3:20])=[C:8]([CH3:21])[N:7]=[C:6]1[C@H:2]([NH:1][CH2:30][CH2:22][N:23]1[C:34](=[O:37])[C:35]2[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=2)[C:24]1=[O:40])[CH:3]([CH3:4])[CH3:5])[C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 176Acetic AcidHCID 5049666Sodium triacetoxyborohydrideHCID 69018345HCID 69018345, 화합물HCID 86591905HCID 86591905, 화합물

생성물 1

HCID 69085270HCID 69085270, 화합물

시약·촉매·용매 2

HCID 63651,1-Dichloroethane용매
HCID 21226206
Ethyl acetate hexane
용매

실험 절차

2-((R)-1-Amino-2-methyl-propyl)-3-benzyl-5,6-dimethyl-3-H-pyrimidin-4-one (0.500 g, 1.75 mMol) and 2H-isoindole-2-acetaldehyde [2913-97-5] (0.661 g 3.50 mMol) were dissolved in dichloroethane (20 mL). Glacial acetic acid was added (0.400 mL, 0.70 mMol) followed by sodium triacetoxy borohydride (0.942 g, 4.40 mMol). The reaction stirred at room temperature under nitrogen for 3.5 h. The reaction was quenched with NaHCO3 (sat. Aq.) and extracted with EtOAc (3×). The organic layer was evaporated under reduced pressure and purified by flash chromatography. (EtOAc/hexane 50–95% gradient) to give the title compound 420 mg (0.92 mMol) MS (ES) m/e 459 (M+H)+.

후처리

  1. customThe reaction was quenched with NaHCO3 (sat. Aq.)
  2. extractionextracted with EtOAc (3×)
  3. customThe organic layer was evaporated under reduced pressure
  4. custompurified by flash chromatography

출처 및 근거

ORD 기록
ord-eba06cd966124328917c851c566b65c0
출처 데이터셋
uspto-grants-2007_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07166595B2

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