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Diisopropylethylamine → (6Z,9Z,29Z,32Z)-20-hydroxy-20-((9Z,12Z)-octadeca-9,12-dienyl)octatriaconta-6,9,29,32-tetraen-19-yl 5-(dimethylamino)pentanoate

HRID 1259003
ノート
印刷プレビュー

反応式

HRID 1259003 の反応式
[CH2:1]([C:19]([OH:58])([CH:38]([OH:57])[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]/[CH:47]=[CH:48]\[CH2:49]/[CH:50]=[CH:51]\[CH2:52][CH2:53][CH2:54][CH2:55][CH3:56])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[CH3:59][N:60]([CH3:68])[CH2:61][CH2:62][CH2:63][CH2:64][C:65](O)=[O:66].CCN=C=NCCCN(C)C.Cl.CCN(C(C)C)C(C)C>CN(C1C=CN=CC=1)C.ClCCl>[CH3:59][N:60]([CH3:68])[CH2:61][CH2:62][CH2:63][CH2:64][C:65]([O:57][CH:38]([C:19]([OH:58])([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33][CH2:34][CH2:35][CH2:36][CH3:37])[CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]/[CH:47]=[CH:48]\[CH2:49]/[CH:50]=[CH:51]\[CH2:52][CH2:53][CH2:54][CH2:55][CH3:56])=[O:66]
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 81531DiisopropylethylamineHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride2 回HCID 140170205-(Dimethylamino)pentanoic Acid2 回HCID 86667529(6Z,9Z,29Z,32Z)-19-((9Z,12Z)-octadeca-9,12-dienyl)octatriaconta-6,9,29,32-tetraene-19,20-diol

生成物 1

HCID 86667530
(6Z,9Z,29Z,32Z)-20-hydroxy-20-((9Z,12Z)-octadeca-9,12-dienyl)octatriaconta-6,9,29,32-tetraen-19-yl 5-(dimethylamino)pentanoate
収率 64%

試薬・触媒・溶媒 2

HCID 142844-(Dimethylamino)pyridine触媒HCID 6344Dichloromethane溶媒2 回

実験手順

To a solution of (6Z,9Z,29Z,32Z)-19-((9Z,12Z)-octadeca-9,12-dienyl)octatriaconta-6,9,29,32-tetraene-19,20-diol (0.75 g, 0.98 mmol), 5-(dimethylamino)pentanoic acid (285 mg, 2.0 mmol), EDC hydrochloride (378 mg, 2.0 mmol), and 4-(N,N-dimethylamino)pyridine (5 mg) in anhydrous dichloromethane (10 mL) was added DIPEA (0.68 mL, 3.9 mmol). The reaction was stirred for 16 hours at room temperature under nitrogen. TLC (1:1 hexanes/ethyl acetate) indicated that the reaction had stalled, so additional 5-(dimethylamino)pentanoic acid (70 mg, 0.5 mmol) and fresh EDC hydrochloride (300 mg, 1.6 mmol) were added. The reaction was stirred for an additional 24 hours under nitrogen at room temperature. The solution was diluted with dichloromethane (100 mL) and washed with saturated sodium bicarbonate (50 mL), water (50 mL), and brine (50 mL). The combined aqueous layers were back extracted once with dichloromethane (50 mL). The combined dichloromethane extracts were dried on magnesium sulfate, filtered, and concentrated in vacuo to dryness. The resulting orange oil was purified by column chromatography on silica gel 60 (eluted with a gradient of 25%→50% ethyl acetate in hexanes) to afford (6Z,9Z,29Z,32Z)-20-hydroxy-20-((9Z,12Z)-octadeca-9,12-dienyl)octatriaconta-6,9,29,32-tetraen-19-yl 5-(dimethylamino)pentanoate as a pale yellow oil (560 mg, 64%). 1H NMR (400 MHz, CDCl3) δ 5.43-5.29 (m, 12H), 4.95 (dd, 1H, J=10.1, 2.7 Hz), 2.78 (t, 6H, J=6.5 Hz), 2.38 (t, 2H, J=7.5 Hz), 2.28 (t, 2H, J=7.5 Hz), 2.22 (s, 6H), 2.09-2.02 (m, 12H), 1.72-1.42 (m, 13H), 1.41-1.19 (m, 56H), 0.90 (t, 9H, J=6.7 Hz).

後処理

  1. stirringThe reaction was stirred for an additional 24 hours under nitrogen at room temperature
  2. washwashed with saturated sodium bicarbonate (50 mL), water (50 mL), and brine (50 mL)
  3. extractionThe combined aqueous layers were back extracted once with dichloromethane (50 mL)
  4. dry with materialThe combined dichloromethane extracts were dried on magnesium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo to dryness
  7. customThe resulting orange oil was purified by column chromatography on silica gel 60 (
  8. washeluted with a gradient of 25%→50% ethyl acetate in hexanes)

出典と根拠

ORDレコード
ord-75ab53ee5ec64bf9a6c63c2a9ecc0e62
出典データセット
uspto-grants-2013_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08466122B2

反応ノート

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