Dimethylphosphate

The second generation force fields for nucleic acids were designed to be used with an explicit solvent representation along with inclusion of the appropriate ions [28,29]. In addition, efforts were made to improve the representation of the conformational energetics of selected model compounds. Eor example, the availability of high level ab initio calculations on the conformational energetics of the model compound dimethylphosphate yielded... 

Dimethylphosphate DMP Dichlorvos, trichlorfon, mevinphos, malathion, dimethoate, fenchlorphos, monocrotophotos... 

Also, Chin s dihydroxy-bridged dicobalt(III) complex 10 provides one of the largest rate enhancements ever observed for phosphodiester hydrolysis [36]. Reaction with the activated phosphodiester methyl(p-nitrophenyl)phosphate (MNPP) yields 11. A crystal structure is available for the analogous dimethylphosphate complex in which the Co ions are 2.9 A apart. At pH 7 and 45 °C 11 releases p-nitrophenolate with k = 0.1 s 1 which corresponds to a nearly 10I2-fold rate enhancement over spontaneous hydrolysis of the substrate. The product of the reaction is a methylphosphate-bridged complex. Based on the pH rate profile and on... 

Rigid-geometry ab initio MO calculations of 86 torsional isomers of the dimethylphosphate anion (CH30)2P02 led to the determination of parameters for the Lennard-Jones type of nonbonded interaction, two- and three-fold torsional, and electrostatic interaction potential functions (215). Extension of this approach to full relaxation ab initio and MM schemes will be extremely useful, not only for phosphorus but also for other heteroatoms. 

Aging is of clinical interest in the treatment of poisoning because cholinesterase reactivators such as pralidoxime (2-PAM, Protopam) chloride are ineffective after aging has occurred. Measurement of metabolites of methyl parathion, p ra-nitrophenol, and dimethylphosphate in the urine has been used to monitor exposure to workers. ... 

An enzyme that catalyses ATP-dependent 2 -phosphorylation and acetyl-CoA-dependent 6 -acetylation of the antibacterial aminoglycosides has been reported.260 Because of its complementary spectrum of two enzymic reactions, this bifunctional enzyme has a wide breadth of activity. Pentacoordinated thiophosphorane intermediates such as (292a) and (292b) are involved in the hydrolytic reactions of the monothioate analogues of 5 -0-mcthyluridinc 2 - and 3 -dimethylphosphates, (293) and (294), which have been studied over a wide range of HC1 acidities, Ik = —1.7 to pH9.261... 

Seven papers reviewed earlier here deal with chemistry about P—S bonds,251,254-257,261,263 i.e. the peroxyhydrolysis of nerve agent (284),251 the hydrolysis of di-S-butyl phosphorothioate,254 the formation of (290),255 hydrolysis of diethyl dithiophosphate,256 the isomerization/chlorination of O, O-dialkylthiophosphate (291),257 the hydrolysis of the monothioate analogues of 5 -O-methyluridine 2 - and 3 -dimethylphosphates (293) and (294),261 and the reactivity of the ribonucleotide analogue (295).263... 

Yet, the corresponding geminal chlorohydrines have a lifetime of less than a few ps (Mertens et al. 1994). The related (i-Pr0)2P(0)0C(CH3)20H decays with k > 3 x 104 s"1, and the data on the peroxyl radical chemistry of trimethylphosphate (Schuchmann, von Sonntag 1984) will have to be reinterpreted in so far as the decay of (CH30)2P(0)CH20H into dimethylphosphate and formaldehyde must have occurred during the bimolecular decay of the peroxyl radicals, i.e. on the submillisecond time scale. 

IUPAC name 2-chloro-2-diethyl-carbamoyl-1 -methylvinyl-dimethylphosphate Molecular formula Ci0H19C1 NO5P Toxicity class USEPA I WHO la... 

DIMETHYL METHOXYCARBONYLPROPENYL PHOSPHATE DIMETHYL (1-METHOXYCARBOXY-PROPEN-2-YL)PHOSPHATE 0,0-DIMETHYL 0-(l-METHYL-2-CARBOXYV1NYL) PHOSPHATE DURAPHOS ENT 22,374 FOSDRIN GESFID GESTID 3-HYDROXYCROTONIC ACID METHYL ESTER DIMETHYL PHOSPHATE MENIPHOS MENITE O (2-METHOXYCARBONYL-l-METHYL-VINYL)-DIMETHYL-FOSFAAT (DUTCH) (2-METHOXYCARBONYL-l-METHYL-VINYL)-DIMETHYL-PHOSPHAT (GERMAN) 2-METHOXYCARBONYL-l-METHYLVINYL DIMETHYLPHOSPHATE 1-METHOXYCARBONYL-1-PROPEN-2-YL DIMETHYL PHOSPHATE (l-METHOXYCARBOXYPROPEN-2-YL)PHOSPHORIC ACID, DIMETHYL ESTER METHYL-3-... 

DIMETHYL-l-PHENYL-l-TRIAZENE see DTPOOO DIMETHYLPHOSPHATE ESTER with 3-HYDROXY-... 

Figure 10 Comparison of selected atomic charges from HF/3-21G( ) CHELP and CHELP-SVD fits for dimethylphosphate (1), neopentane (2), tert-butoxide (3), and glucose (4). Data from CHELP-SVD are in italics.

Costante-Crassous 1997 Cyclic peptides, crambin W. L. Jorgensen 1988 1,2-Dimethoxyethane torsional parameterse (AMBER, OPLS Williams 1996 Dimethylphosphate Kamitakahara 1995... 

Desmethyldichlorvos and dimethylphosphate are rapidly excreted or further metabolized. The glu-curonide conjugate of dichloroethanol is excreted in the feces. Species differences in elimination are common. For example, following oral administration, the cow eliminates 50% through the feces, whereas the rat excretes only about 3% via the feces. 

Quite recently, to develop an optimized synthetic protocol for the alkylation of 1-alkylimidazole compounds with trimethylphosphate, the kinetics of the synthesis of 1,3-dimethylimidazolium dimethylphosphate were studied in detail [45], The synthesis of the phosphonium salts derived from the reaction of phosphines with acids, has not been widely discussed. In 1991, Whitesides synthesized tris(2-carboxyethyl)phos-phine hydrochloride [47], Since then, air sensitive phosphonium salts have also been synthesized by the reaction of phosphine with a solution of aqueous HBF4 ... 

A piezoelectric crystal coated with methyltrioctylphosphonium dimethylphosphate has been recently described as a good detector for phosgene in air [1976], The sensitivity of this device is in the range of 1-35 p.p.m. 

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