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Trifluoroacetic acid → 21H,22H-Porphine

HRID 2111477
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2111477
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
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

9

Edukt 5

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

Produkt 1

HCID 13770524121H,22H-Porphine
Ausbeute 36,1 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 1317257561-(4-Ferrocenylphenyl)-2-(4-formylphenyl)acetyleneKatalysatorHCID 6344DichloromethaneLösungsmittel2×HCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

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.

Aufarbeitung

  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

Quellen und Nachweise

ORD-Eintrag
ord-d493528ab4634a49bdccd719ffc9acc2
Quelldatensatz
uspto-grants-2009_04
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07518905B2

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