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Ethyl Acetate → (1R,2R)-1-methyl-2-(pent-4-en-1-yl)cyclopropanol

HRID 72106
ノート
印刷プレビュー

反応式

HRID 72106 の反応式
[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][CH:6]=C.CCO[C:11]([CH3:13])=[O:12].[CH:14]1([Mg]Cl)CCCCC1>C1COCC1.CC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti+3]>[CH3:14][C@@:11]1([OH:12])[CH2:13][C@H:6]1[CH2:5][CH2:4][CH2:3][CH:2]=[CH2:1]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 3

HCID 8857Ethyl AcetateHCID 169681,6-HeptadieneHCID 178478990HCID 178478990、化合物

生成物 1

HCID 68751280(1R,2R)-1-methyl-2-(pent-4-en-1-yl)cyclopropanol

試薬・触媒・溶媒 2

HCID 11673339Chlorotitaniumtriisopropoxide触媒HCID 8028Tetrahydrofuran溶媒

実験手順

To a solution of 1,6-heptadiene (19.65 g, 204 mmol), in THF (341 ml) was added EtOAc (6.67 ml, 68.1 mmol), and chlorotitanium triisopropoxide (68.1 ml, 68.1 mmol). Cyclohexylmagnesium chloride (2M, 153 ml, 306 mmol) was then added slowly over 2 hours. After an additional 1 hour of stirring at RT, the reaction mixture was filtered through CELITE. The filtrate was then concentrated in vacuo and purified on SiO2 (15% EtOAc/hexanes) to yield the title compound as a mixture of enantiomers. To a solution of the enantiomers (5.5 g, 39.2 mmol) in anhydrous DCM, at 0° C. and under N2, was added Et3N (10.9 mL, 78 mmol) and 4-nitrobenzoyl chloride (8.7 g, 47.1 mmol). The reaction was stirred for 2 hours, diluted with H2O (70 mL) and extracted with DCM (3×100 mL). The combined organic layer was dried over Na2SO4, filtered and concentrated in vacuo. The residue was purified on SiO2 (gradient elution, 0 to 50% EtOAc in hexane) to yield (1R,2R and 1S,2S)-1-methyl-2-(pent-4-en-1-yl)cyclopropyl 4-nitrobenzoate. The benzoate enantiomers (12 g, 41.5 mmol) were separated by chiral chromatography on an AD-H column, eluting with 10% CO2 in MeOH. The desired peak fractions were concentrated to give (1R,2R)-1-methyl-2-(pent-4-en-1-yl)cyclopropyl 4-nitrobenzoate. To a solution of (1R,2R)-1-methyl-2-(pent-4-en-1-yl)cyclopropyl 4-nitrobenzoate (4.87 g, 16.83 mmol) in MeOH (67 mL) was added K2CO3 (4.65 g, 33.7 mmol). The mixture was stirred for 1 hour, filtered, and concentrated in vacuo. The material was purified on SiO2 (gradient elution, 0-50% ether/hexanes) to give the title compound. 1H NMR (500 MHz) (CDCl3) δ 5.82 (m, 1H), 4.99 (m, 2H), 2.09 (m, 2H), 1.78 (s, 1H), 1.55 (m, 2H), 1.41 (s, 3H), 1.32 (m, 1H), 1.14 (m, 1H), 0.97 (m, 1H), 0.84 (m, 1H), 0.06 (m, 1H).

後処理

  1. filtrationthe reaction mixture was filtered through CELITE
  2. concentrationThe filtrate was then concentrated in vacuo
  3. custompurified on SiO2 (15% EtOAc/hexanes)

出典と根拠

ORDレコード
ord-b21c965583204bdb9d5b3b2f1438bf1d
出典データセット
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08828930B2

反応ノート

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