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HCID 90349596, 화합물 → HCID 102447499, 화합물

HRID 928880
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HRID 928880 반응식
I[C:2]1[CH:17]=[CH:16][C:5]([C:6]([O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])=[O:7])=[CH:4][CH:3]=1.[C:18]([C:20]1[CH:35]=[CH:34][C:23]([C:24]([O:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=[O:25])=[CH:22][CH:21]=1)#[CH:19]>C(N(CC)CC)C.O1CCCC1.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[CH2:9]([O:8][C:6]([C:5]1[CH:16]=[CH:17][C:2]([C:19]#[C:18][C:20]2[CH:35]=[CH:34][C:23]([C:24]([O:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=[O:25])=[CH:22][CH:21]=2)=[CH:3][CH:4]=1)=[O:7])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 2

HCID 90349596HCID 90349596, 화합물HCID 118588387HCID 118588387, 화합물

생성물 1

HCID 102447499HCID 102447499, 화합물수율 95.5%

시약·촉매·용매 5

HCID 11776Triphenylphosphine촉매HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)촉매
HCID 178418476
HCID 178418476, 화합물
촉매
HCID 8028Tetrahydrofuran용매2회
HCID 8471Triethylamine용매

실험 절차

Under a nitrogen atmosphere, heptyl 4-iodobenzoate (2a) (3.64 g, 10.5 mmol) was dissolved in anhydrous triethylamine (8.6 mL), and anhydrous tetrahydrofuran (4.0 mL), triphenylphosphine (39.3 mg, 0.150 mmol), copper (I) iodide (43.8 mg, 0.230 mmol), and Pd(PPh3)2Cl2 (27.9 mg, 0.0397 mmol) were added. Thereafter, a solution of heptyl 4-ethynylbenzoate (4a) (2.64 g, 10.8 mmol) in anhydrous tetrahydrofuran (2.0 mL) was slowly added dropwise, and the mixture was stirred at room temperature for 3 hr. The reaction solution was filtered through celite and, after removal under reduced pressure, diluted with ethyl acetate, washed with water and saturated brine, and the organic layer was dried over anhydrous sodium sulfate. The solvent was removed under reduced pressure, and the residue was purified by column chromatography (ethyl acetate:hexane=1:10). Subsequent recrystallization from methanol/ethanol (5:1, v/v) gave bis[4-(heptyloxycarbonyl)phenyl]acetylene (5a) (4.64 g, yield 95%) as a white solid.

후처리

  1. filtrationThe reaction solution was filtered through celite
  2. customafter removal under reduced pressure
  3. additiondiluted with ethyl acetate
  4. washwashed with water and saturated brine
  5. dry with materialthe organic layer was dried over anhydrous sodium sulfate
  6. customThe solvent was removed under reduced pressure
  7. customthe residue was purified by column chromatography (ethyl acetate:hexane=1:10)
  8. customSubsequent recrystallization from methanol/ethanol (5:1

출처 및 근거

ORD 기록
ord-b56fd436add940f7a05b599f08ca4b13
출처 데이터셋
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09290592B2

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