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Thionyl Chloride → 4-(Chloromethyl)-1-(cyclohexylmethyl)-2-(trifluoromethyl)benzene

HRID 515697
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HRID 515697 반응식
[CH:1]1([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([CH2:14]O)=[CH:10][C:9]=2[C:16]([F:19])([F:18])[F:17])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.S(Cl)([Cl:22])=O>C1(C)C=CC=CC=1>[Cl:22][CH2:14][C:11]1[CH:12]=[CH:13][C:8]([CH2:7][CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)=[C:9]([C:16]([F:19])([F:18])[F:17])[CH:10]=1
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참가 물질

4

반응물 2

HCID 24386Thionyl ChlorideHCID 67211680(4-(Cyclohexylmethyl)-3-(trifluoromethyl)phenyl)methanol

생성물 1

HCID 672491474-(Chloromethyl)-1-(cyclohexylmethyl)-2-(trifluoromethyl)benzene수율 100%

시약·촉매·용매 1

HCID 1140Toluene용매

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온도
75 °C

실험 절차

To a solution of (4-(cyclohexylmethyl)-3-(trifluoromethyl)phenyl)methanol (0.060 g, 0.220 mmol) in toluene (2 mL) was added thionyl chloride (1.32 mmol). The reaction was heated to 75° C. for 3 h and quenched with water at 0° C. The mixture was extracted with hexanes (twice). The combined organics were washed with saturated NaHCO3(aq), dried over MgSO4, and concentrated to give the title compound as an oil (0.220 mmol). 1H NMR (400 MHz, CDCl3) δ ppm 0.91-1.06 (m, 2H), 1.12-1.23 (m, 3H), 1.61-1.74 (m, 6H), 2.66 (d, J=6.95 Hz, 2H), 4.59 (s, 2H), 7.30 (d, J=7.96 Hz, 1H), 7.47 (d, J=7.96 Hz, 1H), 7.63 (s, 1H).

후처리

  1. customquenched with water at 0° C
  2. extractionThe mixture was extracted with hexanes (twice)
  3. washThe combined organics were washed with saturated NaHCO3(aq)
  4. dry with materialdried over MgSO4
  5. concentrationconcentrated

출처 및 근거

ORD 기록
ord-897cc3b67f094b319fa856663e0df3f8
출처 데이터셋
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09108969B2

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