ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Trifluoroacetic acid → 21H,22H-Porphine

HRID 2111477
ノート
印刷プレビュー

反応式

HRID 2111477 の反応式
CC1C=C(C)C([CH:9]([C:15]2[NH:19][CH:18]=[CH:17][CH:16]=2)[C:10]2[NH:14][CH:13]=[CH:12][CH:11]=2)=C(C)C=1.C([NH:23]C(SC1C=CC(C=O)=CC=1)=O)C.C(O)(C(F)(F)F)=O.CC[N:44]([CH:48]([CH3:50])[CH3:49])[CH:45]([CH3:47])[CH3:46].[C:51]1(Cl)C(=O)[C:56](Cl)=[C:55](Cl)[C:53](=O)[C:52]=1Cl>C(Cl)Cl.C1COCC1.[C-]1(C2C=CC(C#CC3C=CC(C=O)=CC=3)=CC=2)C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>[C:10]12[CH:9]=[C:15]3[N:19]=[C:18]([CH:17]=[CH:16]3)[CH:49]=[C:48]3[NH:44][C:45]([CH:46]=[CH:50]3)=[CH:47][C:56]3=[N:23][C:52]([CH:53]=[CH:55]3)=[CH:51][C:13]([NH:14]1)=[CH:12][CH:11]=2
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 5

HCID 6422Trifluoroacetic acidHCID 8371ChloranilHCID 81531DiisopropylethylamineHCID 117803912,2'-(Mesitylmethylene)bis(1H-pyrrole)HCID 154789794-[s-(n-Ethylcarbamoyl)thio]-benzaldehyde

生成物 1

HCID 13770524121H,22H-Porphine収率 36.1%

試薬・触媒・溶媒

3
HCID 1317257561-(4-Ferrocenylphenyl)-2-(4-formylphenyl)acetylene触媒HCID 6344Dichloromethane溶媒2 回HCID 8028Tetrahydrofuran溶媒

実験手順

Samples of 5-mesityldipyrromethane (264 mg, 1.0 mmol), aldehyde 30 (195 mg, 0.50 mmol) and aldehyde 32 (105 mg, 0.50 mmol) were dissolved in CH2Cl2 (100 mL, undistilled) and then TFA (0.137 ml, 1.78 mmol) was added slowly over 30 s. The reaction mixture was stirred at rt for 30 min, and then DIEA (0.3 mL, 1.8 mmol) and a solution of p-chloranil (370 mg, 1.5 mmol) in THF (20 mL) was added and the mixture was stirred at rt for a further 6 h. Next the reaction mixture was evaporated to one-third of its initial volume and filtered through a silica pad (CH2Cl2/hexanes, 1:1). Fractions containing the second purple band were collected and chromatographed (silica, CH2Cl2/hexanes, 1:1; then CH2Cl2) to afford a slightly impure product. A second column (silica, CH2Cl2) was performed to obtain 56 mg of pure porphyrin (10.3%). 1H NMR δ −2.55 (s, 2H); 1.31 (t, J=7.2 Hz, 3H), 1.90 (s, 12H), 2.68 (s, 6H), 3.51 (m, 2H), 4.12 (5, H), 4.40 (s, 2H), 4.73 (s, 2H), 5.61 (brt, 1H), 7.34 (s, 6H), 7.56, 7.64 (AA′BB′, 4H), 7.9-8.4 (m, 8H), 8.7-9.0 (m, 8H); LD-MS obsd 1089.0, 1018.0 [M+ —CH3CH2NHCO]; FAB-MS obsd 1085.3766, calcd exact mass 1085.3790 (C71H59N5OSFe); λabs (CH2Cl2) 422, 516, 551, 590, 647 nm.

後処理

  1. stirringthe mixture was stirred at rt for a further 6 h
  2. customNext the reaction mixture was evaporated to one-third of its initial volume
  3. filtrationfiltered through a silica pad (CH2Cl2/hexanes, 1:1)
  4. additionFractions containing the second purple band
  5. customwere collected
  6. customchromatographed (silica, CH2Cl2/hexanes, 1:1
  7. customthen CH2Cl2) to afford a slightly impure product

出典と根拠

ORDレコード
ord-d493528ab4634a49bdccd719ffc9acc2
出典データセット
uspto-grants-2009_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07518905B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート