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2,3,5-Triiodobenzoic acid → 3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-octyl 2,3,5-triiodobenzoate

HRID 1033755
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HRID 1033755 반응식
C([C:9]1([I:20])[C:17]([I:18])=[CH:16][C:15]([I:19])=[CH:14][CH:10]1[C:11]([O-:13])=[O:12])CCCCCCC.IC1C(I)=CC(I)=CC=1C(Cl)=O.IC1C(I)=CC(I)=CC=1C(O)=O.C(Cl)(=O)C(Cl)=O.C(N(CC)CC)C.[F:58][C:59]([F:78])([C:63]([F:77])([F:76])[C:64]([F:75])([F:74])[C:65]([F:73])([F:72])[C:66]([F:71])([F:70])[CH:67]([F:69])[F:68])[CH:60](O)[CH3:61].CN(C1C=CC=CN=1)C>ClCCl>[I:20][C:9]1[C:17]([I:18])=[CH:16][C:15]([I:19])=[CH:14][C:10]=1[C:11]([O:13][CH:60]([C:59]([F:58])([F:78])[C:63]([F:76])([F:77])[C:64]([F:74])([F:75])[C:65]([F:72])([F:73])[C:66]([F:70])([F:71])[CH:67]([F:68])[F:69])[CH3:61])=[O:12]
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참가 물질

9

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HCID 69482,3,5-Triiodobenzoic acidHCID 8471TriethylamineHCID 218852-DimethylaminopyridineHCID 65578Oxalyl chlorideHCID 2577103,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-octanolHCID 27608062,3,5-Triiodobenzoyl chloride2회HCID 86747861
2-Octyl-2,3,5-triiodobenzoate

생성물 1

HCID 152326443,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-octyl 2,3,5-triiodobenzoate

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

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온도
0 °C

실험 절차

Using the same procedure as for 2-octyl-2,3,5-triiodobenzoate, 2,3,5-triiodobenzoyl chloride was prepared from 2.00 g of 2,3,5-triiodobenzoic acid and 2.54 g of oxalyl chloride in dry dichloromethane. The 2,3,5-triiodobenzoyl chloride was dissolved in 8 ml of dry dichloromethane. The solution was cooled to 0° C. and 0.810 g (8.00 mmol) of triethylamine was added. The brown solution was placed under nitrogen before 1.52 g (4.40 mmol) of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-2-octanol was added dropwise. Dimethylaminopyridine (0.049 g, 0.400 mmol) was added and the resulting solution was stirred at room temperature for 18 hrs. The brown solution was then partitioned between 100 ml of dichloromethane and 50 ml of 1M HCl. The dichloromethane layer was washed with saturated NaHCO3 solution (50 ml) and brine (25 ml). The solution was dried over Na2SO4 and concentrated in vacuo to yield 3.11 g of a brown oil. The oil was purified by flash chromatography using 125 g of silica gel and 4% ethyl acetate/hexane as the eluent. The first 475 ml to elute contained nothing, while the pure product eluted with the next 200 ml. Concentration in vacuo afforded 2.36 g (71%) of the product as a colorless oil which slowly solidified to a white, waxy solid. Mp. 32°-35° C.

후처리

  1. additionwas added dropwise
  2. customThe brown solution was then partitioned between 100 ml of dichloromethane and 50 ml of 1M HCl
  3. washThe dichloromethane layer was washed with saturated NaHCO3 solution (50 ml) and brine (25 ml)
  4. dry with materialThe solution was dried over Na2SO4
  5. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-fe73c769af2e46439029445b5af12981
출처 데이터셋
uspto-grants-1994_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05312616

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