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Bromine → 3-(7'-Bromo-1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3h]indol]-5'-yl)-5-fluoro-benzonitrile

HRID 852500
ノート
印刷プレビュー

反応式

HRID 852500 の反応式
[O:1]=[C:2]1[C:10]2([CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]2)[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([C:16]3[CH:17]=[C:18]([CH:21]=[C:22]([F:24])[CH:23]=3)[C:19]#[N:20])[CH:8]=2)[NH:3]1.C([O-])(=O)C.[K+].[Br:30]Br>C(O)(=O)C>[Br:30][C:5]1[CH:6]=[C:7]([C:16]2[CH:17]=[C:18]([CH:21]=[C:22]([F:24])[CH:23]=2)[C:19]#[N:20])[CH:8]=[C:9]2[C:4]=1[NH:3][C:2](=[O:1])[C:10]12[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 24408BromineHCID 517044Potassium AcetateHCID 220193493-(1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile

生成物 1

HCID 220193853-(7'-Bromo-1',2'-dihydro-2'-oxospiro[cyclohexane-1,3'-[3h]indol]-5'-yl)-5-fluoro-benzonitrile収率 43%

試薬・触媒・溶媒 1

HCID 176Acetic Acid溶媒2 回

実験手順

A mixture of 3-(1′,2′-dihydro-2′-oxospiro[cyclohexane-1,3′-[3H]indol]-5′-yl)-5-fluorobenzonitrile (0.40 g, 1.23 mmol) and potassium acetate (0.13 g, 1.3 mmol) in glacial acetic acid (3 mL) at room temperature was treated with a solution of bromine (1.05 eq, 0.21 g, 1.3 mmol) in a glacial acetic acid (3 mL). After stirring for 1 h the mixture was poured onto ice (20 g). The layers were separated and the aqueous layer was extracted with dichloromethane (2×10 mL). The organic layers were combined, washed sequentially with 10% aqueous sodium thiosulfate (20 mL), water (2×10 mL), saturated sodium bicarbonate (10 mL) and brine (15 mL) and dried over MgSO4. The solution was filtered, concentrated in vacuo, and the residue was purified by flash column chromatography on silica gel (eluting with 30% EtOAc/hexane) to give the title compound (0.21 g, 43%) as an oil which crystallized upon addition of 10% EtOAc/hexanes, mp 217° C. 1H NMR (CDCl3; 300 MHz) δ 1.56-2.04 (m, 10H), 7.33 (dddd, 1H, J=1.25, 2.3, 3.6 and 9.0 Hz), 7.45 (m, 1H), 7.47 (m, 2H), 7.54 (m, 1H), 7.60 (m, 1H). MS ((−)−ESI) m/z 399 [M−]. Anal. Calcd for C20H16BrFN2O1: C, 60.17; H, 4.04; N, 7.02. Found: C, 60.03; H, 4.08; N, 6.83.

後処理

  1. additionwas poured onto ice (20 g)
  2. customThe layers were separated
  3. extractionthe aqueous layer was extracted with dichloromethane (2×10 mL)
  4. washwashed sequentially with 10% aqueous sodium thiosulfate (20 mL), water (2×10 mL), saturated sodium bicarbonate (10 mL) and brine (15 mL)
  5. dry with materialdried over MgSO4
  6. filtrationThe solution was filtered
  7. concentrationconcentrated in vacuo
  8. customthe residue was purified by flash column chromatography on silica gel (eluting with 30% EtOAc/hexane)

出典と根拠

ORDレコード
ord-b795bc9ffdda43be87062350614925a4
出典データセット
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07253203B2

反応ノート

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