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3-Amino-1-propanol → 4-(3-Hydroxypropyl)-1lambda~4~,4-thiazinan-1-one

HRID 564244
ノート
印刷プレビュー

反応式

HRID 564244 の反応式
[NH2:1][CH2:2][CH2:3][CH2:4][OH:5].[CH:6]([S:8]([CH:10]=[CH2:11])=[O:9])=[CH2:7]>O>[OH:5][CH2:4][CH2:3][CH2:2][N:1]1[CH2:11][CH2:10][S:8](=[O:9])[CH2:6][CH2:7]1
参加物実験手順後処理出典と根拠反応ノート

参加物

4

反応物 2

HCID 90863-Amino-1-propanolHCID 14217Vinyl sulfoxide

生成物 1

HCID 247280124-(3-Hydroxypropyl)-1lambda~4~,4-thiazinan-1-one収率 96%

試薬・触媒・溶媒 1

HCID 962Water溶媒

実験手順

Step 1. To a solution of 3-amino-1-propanol (1.33 g, 17.64 mmol) in water (30 ml) was added divinylsulfoxide (2.0 g, 19.6 mmol). After the reaction mixture was refluxed for 0.5 h, it was concentrated and dried in vacuo at 50° C. to afford 4-(3-hydroxypropyl)thiomorpholine 1-oxide (3.0 g, 96%) as a colorless liquid. 1H NMR (500 MHz, CDCl3) δ 1.71-1.85 (m, 2H), 2.65 (t, J=6.4 Hz, 2H), 2.75-2.99 (m, 6H), 3.01-3.27 (m, 2H), 3.73 (t, J=5.9 Hz, 2H), 4.22 (brs, 1H). Step 2. To a solution of OZ288 (0.50 g, 1.4 mmol), 4-(3-hydroxypropyl)thiomorpholine 1-oxide (0.50 g, 2.8 mmol), triphenylphosphine (0.74 g, 2.8 mmol), and triethylamine (0.4 ml, 2.8 mmol) in dry THF (50 ml) at 0° C. was added dropwise a solution of DIAD (0.57 g, 2.8 mmol) in THF (10 ml). After stirring at rt overnight, the solvent was removed in vacuo. The residue was dissolved in EtOAc (50 ml) and washed with water (3×50 ml), dried over MgSO4, and concentrated. The residue was purified by chromatography (silica gel, 50% EtOH in EtOAc) to afford OZ466 free base (0.47 g, 65%) as a colorless solid. To a solution of OZ466 free base (0.47 g, 0.91 mmol) in EtOAc (10 ml) at 0° C. was added dropwise a solution of methanesulfonic acid (0.09 g, 0.91 mmol) in ether (10 ml). The resulting precipitate was filtered, washed with ether (25 ml), and dried in vacuo at 40° C. to afford trioxolane OZ466 (0.50 g, 90%) as a colorless solid. mp 156-158° C.; 1H NMR (500 MHz, DMSO-d6) δ 1.45-1.98 (m, 22H), 2.12-2.21 (m, 2H), 2.39 (s, 3H), 2.51-2.61 (m, 1H), 3.04-3.85 (m, 10H), 4.02 (t, J=6.1 Hz, 2H), 6.87 (d, J=8.8 Hz, 2H), 7.13 (d, J=8.8 Hz, 2H), 9.78 (brs, 1H); 13C NMR (125.7 MHz, DMSO-d6) δ 23.50, 26.01, 26.42, 31.49, 34.29, 34.45, 35.98, 36.28, 40.89, 42.13, 54.50, 64.91, 108.32, 110.73, 114.63, 127.65, 138.48, 156.68. Anal. Calcd for C30H45NO8S2: C, 58.89; H, 7.41; N, 2.29. Found: C, 57.47; H, 6.94; N, 2.23.

後処理

  1. temperatureAfter the reaction mixture was refluxed for 0.5 h
  2. concentrationit was concentrated
  3. customdried in vacuo at 50° C.

出典と根拠

ORDレコード
ord-4c9545c29b674ab4af2bcb2349f9b45b
出典データセット
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08067620B2

反応ノート

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