Convenient and High-Yielding Preparations of Mono(5-carboxy-2-ethylpentyl) Phthalate and its Ring-Deuterated Isomer – The “Third” Major Metabolite of Bis(2-ethylhexyl) Phthalate

The synthesis of an oxidative major metabolite of bis(2-ethylhexyl) phthalate is described. The target molecule and its ring-deuterated isomer were obtained via acylation of the appropriate -hydroxy benzyl ester or the corresponding carboxylate with phthalic anhydride or phthalic anhydride-d₄. All transformation steps proceed with high yields.     

Convenient and High-Yielding Preparations of Mono(5-carboxy-2-ethylpentyl) Phthalate and its Ring-Deuterated Isomer – The “Third” Major Metabolite of Bis(2-ethylhexyl) Phthalate

Summary. The synthesis of an oxidative major metabolite of bis(2-ethylhexyl) phthalate is described. The target molecule and its ring-deuterated isomer were obtained via acylation of the appropriate -hydroxy benzyl ester or the corresponding carboxylate with phthalic anhydride or phthalic anhydride-d₄. All transformation steps proceed with high yields.     

Monophthalates with Oxidized C5-Carbon in the Ester Chain: A Simple Synthetic Access to Two Major Metabolites of Bis-(2-ethylhexyl)-phthalate

Summary.  The synthesis of two oxidized metabolites of bis-(2-ethylhexyl)-phthalate is described. The target structures were obtained by esterification of the appropriate alcohol carrying a protected hydroxy group with phthalic anhydride, followed by deprotection and further oxidation. Received February 26, 2002. Accepted March 6, 2002     

(2-Ethyl-5-oxo-hexyl) Methylthiomethyl Phthalate as By-product of the Swern Oxidation: Improved Synthesis of Ring-deuterated Major Metabolites of Bis(2-ethylhexyl) Phthalate

Summary. Two ring-deuterated major metabolites of bis(2-ethylhexyl) phthalate were obtained in excellent yields by means of an improved oxidation procedure. The by-product of their interconversion by Swern oxidation is elucidated and a possible mechanism of its formation is proposed.Received February 27, 2003; accepted March 3, 2003 Published online July 28, 2003     

SDELab: A package for solving stochastic differential equations in MATLAB

We introduce SDELab, a package for solving stochastic differential equations (SDEs) within MATLAB. SDELab features explicit and implicit integrators for a general class of Itô and Stratonovich SDEs, including Milstein's method, sophisticated algorithms for iterated stochastic integrals, and flexible plotting facilities.     

N,N,N′,N′‐Tetrasubstituted Piperazinium Salts of Perfluorinated Acids

Well crystallized diquaternary piperazinium salts of perfluorocarboxylic acids can be prepared by thermal rearrangement of a primary product obtained from the appropriate fluorinated acid chloride and N,N‐dialkylamino‐ethanol. The mechanism of the ring closure step is discussed. The synthetic strategy easily gives access to structurally different piperazinium perfluorocarboxylates. The title compounds show surface activity and can be regarded as ionic amphiphiles.     

Monophthalates with Oxidized C5-Carbon in the Ester Chain: A Simple Synthetic Access to Two Major Metabolites of Bis-(2-ethylhexyl)-phthalate

 The synthesis of two oxidized metabolites of bis-(2-ethylhexyl)-phthalate is described. The target structures were obtained by esterification of the appropriate alcohol carrying a protected hydroxy group with phthalic anhydride, followed by deprotection and further oxidation.