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3-Chloro-1,1-diethoxypropane → HCID 71294568、化合物

HRID 2274712
ノート
印刷プレビュー

反応式

HRID 2274712 の反応式
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH:18]([OH:40])[CH2:19][CH:20]([OH:39])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].C(O[CH:44](OCC)[CH2:45][CH2:46]Cl)C.CC1C=CC(S([O-])(=O)=O)=CC=1.C1C=[CH:66][NH+:65]=[CH:64]C=1.C([O-])(O)=O.[Na+]>C1(C)C=CC=CC=1>[CH2:17]([CH:18]1[CH2:19][CH:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])[O:39][CH:44]([CH2:45][CH2:46][N:65]([CH3:66])[CH3:64])[O:40]1)[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]/[CH:10]=[CH:9]\[CH2:8]/[CH:7]=[CH:6]\[CH2:5][CH2:4][CH2:3][CH2:2][CH3:1]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 962173-Chloro-1,1-diethoxypropaneHCID 466102Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)HCID 516892Sodium BicarbonateHCID 86678087HCID 86678087、化合物

生成物 1

HCID 71294568HCID 71294568、化合物収率 457.9%

試薬・触媒・溶媒 1

HCID 1140
Toluene
溶媒

反応条件

温度
80 °C

実験手順

A solution of the diol (6Z,9Z,29Z,32Z)-octatriaconta-6,9,29,32-tetraene-18,20-diol (7) (940 mg, 1.68 mmol) and 3-chloropropionaldehyde diethylacetal (563 μL, 3.36 mmol) in toluene (15 mL) was treated with PPTS (50 mg) and heated (80° C., 2 h). After cooling (rt) the reaction mixture was poured into sat. aq. NaHCO3, extracted with EtOAc, washed with brine, dried (Na2SO4), filtered and concentrated. The crude product was dissolved in a solution of (CH3)2NH (25 mL, 5.6M in EtOH), transferred to a sealed reaction vessel and heated (80° C., 16 h). Once complete the yellow solution was concentrated and the residue was subjected to chromatography (100% EtOAc) to yield 2-(4-((8Z,11Z)-heptadeca-8,11-dien-1-yl)-6-((9Z,12Z)-octadeca-9,12-dien-1-yl)-1,3-dioxan-2-yl)-N,N-dimethylethanamine (8) (585 mg, 54% over 2 steps) as a pale yellow oil. Rf 0.5 (10% CH3OH—CH2Cl2); 1H NMR (400 MHz, CDCl3) 5.46-5.29 (m, 8H), 4.85 (t, 0.5H), 4.59 (t, 0.5H), 4.08-3.98 (m, 0.5H), 3.80-3.70 (m, 0.5H), 3.60-3.50 (m, 1H), 2.78 (app. t, 4H), 2.50-2.37 (m, 2H), 2.32-2.21 (m, 6H), 2.13-2.02 (m, 8H), 1.88-1.72 (m, 2H), 1.63-1.22 (m, 40H), 0.91 (t, 6H). FW 643.47, C43H79NO2.

後処理

  1. temperatureAfter cooling (rt) the reaction mixture
  2. extractionextracted with EtOAc
  3. washwashed with brine
  4. dry with materialdried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated
  7. dissolutionThe crude product was dissolved in a solution of (CH3)2NH (25 mL, 5.6M in EtOH)
  8. customtransferred to a sealed reaction vessel
  9. temperatureheated (80° C., 16 h)
  10. concentrationwas concentrated

出典と根拠

ORDレコード
ord-fd4a340b06494d71a7926d39facf1d22
出典データセット
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09126966B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート