Samstag, 17. August 2013



Today's post is about the formation of isophorone out of acetone.

And here's the corresponding TikZ source code:
\documentclass[a4paper]{article}

\usepackage[english]{babel}
\usepackage[utf8x]{inputenc}
\usepackage{amsmath}
\usepackage{graphicx}
\usepackage[colorinlistoftodos]{todonotes}
%% Using Tikz:
\usepackage{tikz}
%% ------- Tikz packages ------
%% Having better arrows in chem. equations:
\usetikzlibrary{arrows}
\usetikzlibrary{shadows}

%% -------- End of Tikz packages -----
%% Use chemfig package for chemical stuff:
\usepackage{chemfig}



\begin{document}


%% First Blog Entry
\begin{tikzpicture}


%% TikZ Styles:
\tikzstyle{namingColor} = [white]
\tikzstyle{titleColor} = [namingColor]


%% The Background:
\draw[ draw=blue,fill=blue!50!white!50!gray,drop shadow,rounded corners ]%%
    (-1.4,3.2) rectangle (12,-10);

\node[ titleColor ] at (4.5,2.4) {Intra-molecular \it Micheal\rm-reaction:~The formation of Isophorone};

%% Aldol addition between one acetone molecule and another:
\node at ( 0, 0 ) {%%
    \chemfig{-[::45](=[::45]O)-[::-90]-[::-45]H} };
\draw[ ->,>={stealth},thick ] ( 2, 0 ) -- ( 4, 0 )%%
node [ above, midway ] { + \chemfig{B^\ominus}}%%
node [ below, midway ] { - HB };

%% Electron Arrows:
\coordinate (PBaseStart) at (3,0.5);%% Start of Electron Flow
\coordinate (PBaseEnd) at (0.8,-1.2);%% Control Point for the curve
\coordinate (PBaseControl) at (1.4,1.9);%% End of Electron Flow
\draw[ ->, rounded corners=20mm ] (PBaseStart) -- (PBaseControl) -- (PBaseEnd);

%% Enolate:
\node at (5.5,0.5){%%
    \chemfig {-[::45](-[::45]\lewis{2:,O}|^\ominus)=[::-90]}};
  
%% The Enolate attacks another molecule acetone to form the aldol
%% addition Product:
%% Reaction Arrow:
\draw[ ->,>={stealth},thick ] ( 7, 0 ) -- ( 9, 0 );%%
\draw ( 8, 1.0 ) node {%% Another molecule Acetone
    \chemfig{-[::45](=[::45]O)-[::-90]} } ;

%% The 1. electron flow of the aldol addition reaction
\coordinate (P2BaseStart) at (5.3,1.5);%% Start of Electron Flow
\coordinate (P2BaseEnd) at (5.3,0.7);%% Control Point for the curve
\coordinate (P2BaseControl) at (3.4,1.2);%% End of Electron Flow
\draw[ -<, rounded corners=20mm ] (P2BaseStart) --%%
(P2BaseControl) -- (P2BaseEnd);

%% The 2. electron flow of the aldol addition reaction
\coordinate (P2BaseStart) at (5.8,-0);%% Start of Electron Flow
\coordinate (P2BaseEnd) at (7.8,0.7);%% Control Point for the curve
\coordinate (P2BaseControl) at (7,1.5);%% End of Electron Flow
\draw[ ->, rounded corners=10mm ] (P2BaseStart) --%%
(P2BaseControl) -- (P2BaseEnd);
´

%% The 3. electron flow of the aldol addition reaction
\coordinate (P2BaseStart) at (8.1,1.2);%% Start of Electron Flow
\coordinate (P2BaseEnd) at (8.2,1.8);%% Control Point for the curve
\coordinate (P2BaseControl) at (8.4,1.45);%% End of Electron Flow
\draw[ ->, rounded corners=2mm ] (P2BaseStart) --%%
(P2BaseControl) -- (P2BaseEnd);

%% The Product of the aldol addition
\node at (10.4,0) {%%
\chemfig{-[::45](-[::45]O|^\ominus)(-[::-45])-[::-90]-(=[::90]O)-[::-45]}
};
\node[ namingColor ] at (10,-1) {$\beta$-hydroxy carbonyl};
;

%% The Aldol Condensation Reaction:
\draw[ ->,>={stealth},thick ] ( 9.5, -1.5 ) -- ( 9.5, -3 )%%
node[ left, midway ] {+\chemfig{H^\oplus}}
node[ right, midway] {-\chemfig{H_2O}};

%% The Product of the Aldol Condensation Reaction:
\node at (10,-5.5) {%%
\chemfig{-[::45](-[::-90])=[::45]-[::45](=[::-45]O)-[::90]}};

%% Name the Product:
\node[ namingColor ] at (10,-7.8) {mesityl oxide};

%% The Michael Addition of yet another molecule acetone:
\draw[ ->,>={stealth},thick ] ( 9.0, -5 ) -- ( 7.0, -5 );%%
\node at ( 8, -4.0 ) {\chemfig {-[::45](-[::45]\lewis{2:,O}|^\ominus)=[::-90]}};

%% The 1. electron flow of the Michael Reaction:
\coordinate (P2BaseStart) at (8.2,-4.4);%% Start of Electron Flow
\coordinate (P2BaseEnd) at (10.3,-6.8);%% Control Point for the curve
\coordinate (P2BaseControl) at (8.5,-6.5);%% End of Electron Flow
\draw[ ->, rounded corners=15mm ] (P2BaseStart) --%%
(P2BaseControl) -- (P2BaseEnd);

%% The 2. electron flow of the Michael Reaction:
\coordinate (P2BaseStart) at (10.3,-6.4);%% Start of Electron Flow
\coordinate (P2BaseEnd) at (10.,-5.3);%% Control Point for the curve
\coordinate (P2BaseControl) at (8.5,-6.5);%% End of Electron Flow
\draw[ ->, rounded corners=15mm ] (P2BaseStart) --%%
(P2BaseControl) -- (P2BaseEnd);

%% The Product of the Michael Addition:
\node at (5.5,-4.5) {
\chemfig{-[::45](-[::45]O|^\ominus)=[::-90]-[::-45]([::45]-)([::80]-)-[::-45]-[::-90](=[::45]O)-[::-90]}};

%% Keto-Enol-Tautomerism:
\draw[ ->,>={stealth},thick ] ( 4.7, -6 ) -- ( 4.2, -6.5 )%%
node[ above, midway,rotate=45 ] {+\chemfig{H^\oplus}};

%% The Product of the Michael Addition after the Keto-Enole-Tautomerism
\node at (3.2,-6.8) {
\chemfig{-[::45](=[::45]O)-[::-90]-[::-45]([::45]-)([::80]-)-[::-45]-[::-90](=[::45]O)-[::-90]}};

%% Reaction To The Final Product:
\draw[ ->,>={stealth},thick ] ( 2.6, -6.4 ) -- ( 1.2, -5 )%%
node[ above, midway,rotate=-45 ] {\chemfig{H^\oplus}; -\chemfig{H_2O}};

%% The Final Product:
\node at (0.5,-3){
\chemfig{-[::45](=[::45]O)-[::-90]-[::-45]([::45]-)([::80]-)-[::-45]-[::-90](=[::-45])-[::+90]}};

%% Naming of the Final Product:
\node[ namingColor ] at (0.48, -5.5) {isophorone};

\end{tikzpicture}


\end{document}

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