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Phenylacetylene → 7,8-Dimethoxy-1-methyl-5-(2-phenylethynyl)-1,3-dihydro-1,4-benzodiazepin-2-one

HRID 1297099
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인쇄 미리보기

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HRID 1297099 반응식
Cl[C:2]1[C:8]2[CH:9]=[C:10]([O:15][CH3:16])[C:11]([O:13][CH3:14])=[CH:12][C:7]=2[N:6]([CH3:17])[C:5](=[O:18])[CH2:4][N:3]=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[C:38]1([C:44]#[CH:45])[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=1>CC#N.Cl[Pd]Cl.[Cu]I>[CH3:16][O:15][C:10]1[C:11]([O:13][CH3:14])=[CH:12][C:7]2[N:6]([CH3:17])[C:5](=[O:18])[CH2:4][N:3]=[C:2]([C:45]#[C:44][C:38]3[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=3)[C:8]=2[CH:9]=1
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참가 물질

7

반응물 3

HCID 10821PhenylacetyleneHCID 11776TriphenylphosphineHCID 691548525-Chloro-7,8-dimethoxy-1-methyl-1,3-dihydro-1,4-benzodiazepin-2-one

생성물 1

HCID 573973617,8-Dimethoxy-1-methyl-5-(2-phenylethynyl)-1,3-dihydro-1,4-benzodiazepin-2-one수율 45%

시약·촉매·용매 3

HCID 24290Palladium Chloride촉매
HCID 24350
Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
촉매
HCID 6342Acetonitrile용매

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온도
55 °C

실험 절차

To a solution of 240 mg (0.89 mmol) of 5-chloro-7,8-dimethoxy-1-methyl-1,3-dihydro-1,4-benzodiazepin-2-one XVIIIaa in 7 ml of CH3CN, add under an inert atmosphere 17 mg (0.1 mmol) of PdCl2, 30 mg (0.16 mmol) of CuI. Stir for 5 minutes, then add 68 mg (0.23 mmol) of PPh3, 185 μl of Net3 and 150 μl of phenylacetylene. Heat the mixture at 55° C. for 3 hours. Evaporate to dryness and purify by silica chromatography (AcOEt 1/hexane 1, then AcOEt). Recrystallize in EtOH. Yield: 45%. 1H-NMR (DMSO, 200 MHz): d 3.33 (s, 3H, NCH3), 3.70–3.91 (m, 7H, 1HCH2+20CH3), 4.50–5.60 (m, 1HCH2), 7.06 (s, 1H Ar), 7.32 (s, 1H Ar), 7.48–7.68 (m, 5H Ar). Mass: (M+H)+=335.16.

후처리

  1. customEvaporate to dryness
  2. custompurify by silica chromatography (AcOEt 1/hexane 1
  3. customRecrystallize in EtOH

출처 및 근거

ORD 기록
ord-a37efcbce1fc4a2897503a7a8aa0c36d
출처 데이터셋
uspto-grants-2007_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07250410B2

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