Equation epichlorohydrin

The HKR of epichlorohydrin (ECH) was studied as a representative reaction for kinetic studies. For dimer catalyst lb and lb and corresponding monomers la and la, show the two-term rate equation involving both infra and intermolecular components[10]. 

Refluxing of benzo[l,2,4]triazine-3-thione 86 with epichlorohydrin in the presence of triethylamine in methanol for 14 h resulted in the formation of 3,4-dihydro-2H,97/-l-thia-4a,9,10-triaza-phenanthren-3-ol 87 <2003PS797> (Equation 7). 

The 3-thiomethyl-5-amino-l,2,4-thiadiazole 49 reacts with epichlorohydrin to afford the pyrimidino-l,2,4-thiadia-zole 50 (Equation 14) <2001CHE1005>. 

Assembling a five-component coupling product in a single operation further extended this methodology. Following alkylation of dithiane 78 with epoxide (—)79 (2.6 equivalent each) to generate the unrearranged alkoxy dithiane 80, sequential addition of HMPA and (—)-epichlorohydrin 81 (1 equivalent) furnished the bis(silyloxy dithiane) carbinols (- -)82 in 66% yield (equation 29) . ... 

A convenient, short-step synthesis of enantiomerically pure 2-methylenecyclopropyl-methanol has been achieved by treating optically pure epichlorohydrin with methylenephosphorane (equation 146)325. Vinyl ketones are cyclopropanated with ( )-1-... 

In addition to the effect of additives, such as epichlorohydrin, there is strong evidence of solvent influence itself. This may be seen by examining the rate constants in Table II. As an additional check on the utility and validity of the kinetic results several rate constants were calculated and compared with those obtained graphically. These constants were calculated in the following way ki was calculated from the Arrhenius equation in which k2 at 25°C., obtained graphically, was assumed to be correct as well as the activation energy, which was obtained from all graphically calculated rate constants. The results of these calculations can be seen in Tables IV and V. 

The alkylation of pyrroles 131 with epichlorohydrin using potassium carbonate as a catalyst affords l-(2-oxiranyl-methyl)-l/7-pyrroles 132 in modest to high yields (Equation 22) <2002BMC2511>. A similar synthetic route led to indole derivatives 133 (Equation 23). Both compounds 132 and 133 are precursors of isopropanolamines, potential anti-HIV-l-PR agents. 

Omission of the base in the Komblum oxidation can have interesting consequences. Bromine, produced by the oxidation of the liberated HBr by DMSO," may lead to bromination of the primary oxidation product in good yield (equation 2). Note the use of epichlorohydrin as an HBr scavenger (equation 3). 

Several patents and two papers deal with the epoxidation of allyl chloride [98, 99]. Actually, a process based on TS-1 would represent an environmentally cleaner alternative to current production of epichlorohydrin. In this regard, one study has addressed the cost of commercial hydrogen peroxide with the in situ production of the oxidant, by the use of molecular oxygen and anthrahydroquinone compounds [99]. In a mechanistic study, the kinetic data were interpreted on the basis of Eley-Rideal isotherms, with the rate of reaction being first order on TS-1 and between 0 and 1 on H2O2 and C3H5CI (Equation 18.8) [98]. 

In principle, the knowledge of the momentary concentrations of the active species is not necessary to determine the rate constants (cf. Fig. 14) because both kp and kj can be simultaneously determined by solving equations describing the non-stationary kinetics, as was shown for the cationic polymerization of sts rene by Peppra (partial solution) and for the polymerization of a-epichlorohydrin (complete kinetic solution). 

Methylbenzoselenazole reacts with alkyl iodides to yield A -alkyl-2-methylbenzoselenazolium iodides 60 in acetonitrile (Equation 1) <2002MOL320>. 2-Methylbenzoselenazole perchlorate reacts with epichlorohydrin to give Af-(3-chloro-2-hydroxypropyl)-2-methylbenzothiazolium perchlorate 61 (Equation 2) <2004SC2539>. 

Selenothioacetic acid 6 -butyl ester 226 was treated with epichlorohydrin 227 followed by tetrabutylammonium fluoride to give the product 199 (R = H, R = CH2C1) (Equation 47) <2001PS111>. 

The new polyaminoalcohol (33), obtained as an oligomeric 3 3 addition product of epichlorohydrin to ethylenediamine, likely involving (32) as an intermediate (Equation (1)) in the doubly deprotonated form yields a trinuclear copper(II) complex showing very little conformation freedom.43... 

The ligands shown in Table 7 are structurally closely related to those described in Section 2. The difference is, that while two linkers are still CH2 groups, the third one is an oxygen function. The synthesis of this type of ligand (138)-(145) is based on epichlorohydrine as the starting material (Equation (16)). 

The fed-batch reactor model is commonly built using classical thermal and mass balance differential equations [11], Under isothermal conditions, the material balance for each measured component in the H KR of epichlorohydrin with continuous water addition is expressed by one of the following equations (Eqs. 12-17). These equations can be solved using an appropriate solver package (Lsoda, Ddassl [12]) with a connected optimization module for parameter estimation. 

The data compilation of Yaws and co-workers (31,44,52) was selected for heat of vaporization for temperatures ranging from melting point to critical point except for epichlorohydrin (5). A modified Watson equation, Equation (l-2a), was used for correlation of the data as a function of temperature. Reliability of results is good with errors of about 1-10%. 

Results from the data compilation of Yaws and co-workers (31,44) were selected for heat capacity of ideal gas except for epichlorohydrin (5). Correlation of data was accomplished using Equation (l-5a). Results are in favorable agreement with data. Errors are about 1-10% or less in most cases. 

Results from the data compilation of Yaws and co-workers (31) were selected for thermal conductivity of liquid except for epichlorohydrin (30). The coverage applies to temperatures from below the boiling point to temperatures above the boiling point for most of the compounds. Data for liquid thermal conductivity as a function of temperature were correlated using a series expansion in temperature, Equation (1-10). Reliability of results is rough with possible errors of 5-100%. 

The data compilation of Yaws and co-workers (31,44,45) was selected for enthalpy of formation of ideal gas for all compounds except epichlorohydrin. For epichlorohydrin, the value at 25 C (5) was extended to higher temperatures by integration of the appropriate equations (177) which involve gas heat capacities. Data for enthalpy of formation of the ideal gas is a series expansion in temperature, Equation (1-11). Results from the correlation are in favorable agreement with data. 

Epoxy resins are a class of polymers that can be crossllnked to yield materials with a wide range of physical and chemical properties. Usually, linear, low-molecular weight products, known as pre-poljnners or first-stage polymers are polyethers with reactive epoxide endgroups. The most commonly used prepolymer is prepared by the condensation or step-growth polymerization of epichlorohydrin and bisphenol A as shown by the following equation ... 

Abstract The modified equation-of-motion coupled cluster approach of Sekino and Bartlett is extended to computations of the mixed electric-dipole/magnetic-dipole polarizability tensor associated with optical rotation in chiral systems. The approach - referred to here as a linearized equation-of-motion coupled cluster (EOM-CCl) method - is a compromise between the standard EOM method and its linear response counterpart, which avoids the evaluation of computationally expensive terms that are quadratic in the field-perturbed wave functions, but still yields properties that are size-extensive/intensive. Benchmark computations on five representative chiral molecules, including (P)-hydrogen peroxide, (5)-methyloxirane, (5 )-2-chloropropioniuile, (/ )-epichlorohydrin, and (75,45)-norbornenone, demonstrate typically small deviations between the EOM-CCl results and those from coupled cluster linear response theory, and no variation in the signs of the predicted rotations. In addition, the EOM-CCl approach is found to reduce the overall computing time for multi-wavelength-specific rotation computations by up to 34%. 

ABSTRACT Ephedra waste was modified by epichlorohydrin and diethylenetriamine to obtain aminated ephedra waste biosorbent. The factors affecting the adsorption efficiency, such as pH and contact time were investigated. The results showed that the optimum absorption conditions of aminated ephedra waste pH was 4.7 contact time was 3 h equilibrium was well described by Langmuir isotherms and kinetics was found to fit pseudo-second order type. According to the Langmuir equation, the maximum adsorption capacities of modified adsorbent for Cu + are 93.11 mg/g, which are higher than untreated adsorbent (17.61 mg/g). The aminated ephedra waste biosorbent had excellent absorbability toward heavy metal ions Cu f... 

More recently, Jacobsen and coworkers have found that epoxides undergo a highly enantioselective ring-opening with TMS-azide when catalysed by (salen)Cr(III) complexes such as (5,5)-4. This asymmetric ring opening shows a second-order rate dependence on catalyst concentration . Applications of the process have included kinetic resolution of terminal epoxides , an efficient synthesis of (/ )-4-(trimethylsilyloxy)cyclopent-2-enone, the dynamic kinetic resolution (equation 11) of epichlorohydrin, an enantioselective route to carbocyclic nucleoside analogues and a formal synthesis (equation 12) of the protein kinase inhibitor 5. 

Difficulties have been fonnd in the intermolecular coupling reactions of allylsilanes with epoxides other than the simplest ethylene oxide . For example, reactions of allylsilane 99 with epichlorohydrins in the presence of TiCLj or EtAlCl2 give chlorohydrins in moderate to good yields. However, treatment of epichlorohydrin with 99 fnrnishes the expected allylated chlorohydrin product 100 (equation 78). In the intramolecnlar addition of the allylsilane moiety to 2,3-epoxyether moiety of 101, the ratio of 6- and 7-membered ring products is affected by the nature of the Lewis acid. When BF3 OEta is nsed, a mixture of 102 and 103 is obtained (equation 79). Interestingly, 102 is the exclusive product in the TiCU-catalyzed reaction . 

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