Garcia-Lopez, Jose-Antonio’s team published research in Organic Letters in 16 | CAS: 1451393-45-5

Organic Letters published new progress about 1451393-45-5. 1451393-45-5 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (2-Bromo-4-chlorophenyl)boronic acid, and the molecular formula is C6H5BBrClO2, SDS of cas: 1451393-45-5.

Garcia-Lopez, Jose-Antonio published the artcileUse of 2-Bromophenylboronic Esters as Benzyne Precursors in the Pd-Catalyzed Synthesis of Triphenylenes, SDS of cas: 1451393-45-5, the publication is Organic Letters (2014), 16(9), 2338-2341, database is CAplus and MEDLINE.

Ortho-Substituted aryl boronates, e.g., I (X= Br, OTf), are introduced as aryne precursors for transition-metal-catalyzed transformations. On treatment with tBuOK and Pd(0), metal-bound aryne intermediates are formed that undergo effective trimerization to form useful triphenylene compds, e.g., II. For meta-substituted arynes, the 3:1 product ratio in favor of non-C3 sym. material is indicative of a benzyne mechanism.

Organic Letters published new progress about 1451393-45-5. 1451393-45-5 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (2-Bromo-4-chlorophenyl)boronic acid, and the molecular formula is C6H5BBrClO2, SDS of cas: 1451393-45-5.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Sanchez, Rafael S.’s team published research in Journal of Physical Chemistry C in 116 | CAS: 219537-97-0

Journal of Physical Chemistry C published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Synthetic Route of 219537-97-0.

Sanchez, Rafael S. published the artcileLight- and Redox-Controlled Fluorescent Switch Based on a Perylenediimide-Dithienylethene Dyad, Synthetic Route of 219537-97-0, the publication is Journal of Physical Chemistry C (2012), 116(12), 7164-7172, database is CAplus.

The development of luminescent materials that are sensitive to both optical and elec. stimuli is of high interest for the fabrication of future information-processing devices. In this study we report about a novel fluorescent mol. switch (1) that can be light- and redox-controlled. This compound has been synthesized by covalent tethering of a perylenediimide fluorophore (PDI) to a dithienylethene (DTE) unit. The photochromic properties of the DTE group are preserved in the dyad, which can be reversibly converted between open (1o) and closed (1c) states upon irradiation In addition, 1 displays electrochromicity, and its ring-opening process can be promoted quant. by electrochem. oxidation Whereas the open-ring state of the switch is highly fluorescent, the emission of the PDI group in 1c is quenched by energy transfer to the DTE group. This allows large fluorescence modulation between the two states of 1, which can be operated either as an all-optical switch or by a combination of photo- and electrochem. stimuli.

Journal of Physical Chemistry C published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Synthetic Route of 219537-97-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Alepee, Nathalie’s team published research in Toxicology In Vitro in 54 | CAS: 350-30-1

Toxicology In Vitro published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Category: chlorides-buliding-blocks.

Alepee, Nathalie published the artcileUsefulness of the EpiSkin reconstructed human epidermis model within Integrated Approaches on Testing and Assessment (IATA) for skin corrosion and irritation, Category: chlorides-buliding-blocks, the publication is Toxicology In Vitro (2019), 147-167, database is CAplus and MEDLINE.

Predictive capacity of the EpiSkin model was evaluated on 87 chems. using the Bottom-Up and the Top-Down testing approaches recommended within Integrated Approach on Testing and Assessment for the identification of both skin irritation and corrosion hazards. Classified (UN GHS Cat. 1 and Cat. 2) chems. were identified with a very high sensitivity (�4%) and the non-classified (UN GHS Cat. 3 and No Cat.) chems. with an appropriate specificity (70%). Very high sensitivities were obtained for the identification of Cat. 1 chems. (�8%), very high specificities for non-Cat. 1 chems. (93%), and accuracies of -95% for the identification of skin corrosives vs. non-corrosives by both approaches. Overall accuracies of 72% were found for predicting the single (sub)categories: non-classified, Cat. 2, Subcat. 1B/1C and Subcat. 1A. Results indicated the testing strategies to be more predictive than the individual assays on a conservative safety approach. Finally, no extreme misclassifications (no under-prediction of in vivo Subcat. 1A as non-Cat. 1, and no over-prediction of non-classified chem. as Subcat. 1A) occur. These findings, independently of the approach used, confirm the usefulness of the EpiSkin in vitro model for a safe prediction of the skin irritant and corrosive hazards of chems.

Toxicology In Vitro published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Couture, Axel’s team published research in Synthesis in | CAS: 4584-49-0

Synthesis published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H13Cl2N, Application of 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride.

Couture, Axel published the artcileA convenient synthetic methodology for the elaboration of the pyrido[2,3-b]- or -[3,4-b]pyrazine and -[1,4]diazepine skeletons, Application of 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, the publication is Synthesis (1991), 982-4, database is CAplus.

The condensation of the anion of (acylamino)chloropyridines I (X, Y = N, CH; R = H, Me; R1 = H, Cl) with R2CHCl(CH2)nNMe2·HCl gave efficiently tetrahydropyridopyrazines II (n = 1) and tetrahydropyridodiazepines II (n = 2).

Synthesis published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H13Cl2N, Application of 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Futsaeter, Nils’s team published research in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy in 36A | CAS: 866-23-9

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application of Diethyltrichloromethylphosphonate.

Futsaeter, Nils published the artcileStudies of hydrogen bonding. XXXI. NMR studies of solute-solute-solvent interaction, Application of Diethyltrichloromethylphosphonate, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (1980), 36A(12), 1083-8, database is CAplus.

The interactions of 2-methyl-6-tert-butylphenol (I) with CHCl3 and phosphoryl compds, e.g. (Me2N)3PO, in cyclohexane, CHCl3, and CCl4 solutions were studied by NMR; thermodn. calculations were also reported. H-bonding was proposed; its extent was solvent dependent. The association constant (K) values indicated 1:1 association in all cases. The K values for the association of I with the phosphoryl compounds were less for the CHCl3 than for the other solutions This change was attributed to the competitive equilibrium between solvent and solute and was discussed and correlated with the proton acceptor or donor property of the solvent.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application of Diethyltrichloromethylphosphonate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Aksnes, Gunnar’s team published research in Acta Chemica Scandinavica in 14 | CAS: 866-23-9

Acta Chemica Scandinavica published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Synthetic Route of 866-23-9.

Aksnes, Gunnar published the artcileIntermolecular hydrogen bond association between phenol and organophosphorus compounds, Synthetic Route of 866-23-9, the publication is Acta Chemica Scandinavica (1960), 1485-94, database is CAplus.

The intermol. H-bond association constants between phenol and 18 organophosphorus compounds were determined at 20° and 50°. The ΔF, ΔH, and ΔS values of the equilibrium reactions vary linearly with the H-bond shift in such a way that an increase in enthalpy is counteracted by a decrease in entropy. The strong influence of the substituents in organophosphorus compounds on the H-bond association constants is discussed in terms of the electronic properties of the P atom and the substituents. The connection between H-bond formation and the proton-transfer reaction is commented on.

Acta Chemica Scandinavica published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Synthetic Route of 866-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Braunstein, Pierre’s team published research in Journal of Organometallic Chemistry in 541 | CAS: 866-23-9

Journal of Organometallic Chemistry published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application In Synthesis of 866-23-9.

Braunstein, Pierre published the artcileCarbonyl clusters with a capping methylidyne phosphonate ligand. Crystal structure of [Co3(CO)913-[CP(O)(OEt)2]}], Application In Synthesis of 866-23-9, the publication is Journal of Organometallic Chemistry (1997), 541(1-2), 417-422, database is CAplus.

The bridging methylidyne clusters [Co3(CO)913-[CP(O)(OR)2]}] (1, R = Et; 3, R = SiMe3) with α-phosphoryl substituents were synthesized by reaction of Cl3CP(O)(OR)2 with Co2(CO)8, followed by protonation. Cluster 3 was also obtained by the reaction of 1 with Me3SiBr. The structure of 1 was determined by x-ray crystallog. The donor properties of the P:O function toward Lewis acids such as [Cp2MCl]+ (M = Ti, Zr) were used to assemble early-late metal systems.

Journal of Organometallic Chemistry published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Application In Synthesis of 866-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Fu, Ying’s team published research in ChemCatChem in 10 | CAS: 209919-30-2

ChemCatChem published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C7H8BClO2, HPLC of Formula: 209919-30-2.

Fu, Ying published the artcileCopper-Catalyzed Monoorganylation of Trialkyl Borates with Functionalized Organozinc Pivalates, HPLC of Formula: 209919-30-2, the publication is ChemCatChem (2018), 10(19), 4253-4257, database is CAplus.

Organozinc pivalates, a recently developed air- and moisture-stable organozinc species, were found for the 1st time as excellent organometallic species in the monoorganylation of trialkyl borates whereby boronic acids were prepared in high yields. The significant advantage of organozinc pivalates over another previously employed organometallic reagents, e. g., organolithium reagents, Grignard reagents and organozinc halides, is that the generation of multiorganylation byproducts such as borinic acids and trialkylboranes were completely suppressed. Addnl., the in situ generated boronates could be directly arranged into Suzuki-Miyaura type cross-coupling reactions to produce biaryls in high yields.

ChemCatChem published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C7H8BClO2, HPLC of Formula: 209919-30-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Droge, Steven T. J.’s team published research in Environmental Science & Technology in 47 | CAS: 23616-79-7

Environmental Science & Technology published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, HPLC of Formula: 23616-79-7.

Droge, Steven T. J. published the artcileSorption of Organic Cations to Phyllosilicate Clay Minerals: CEC-Normalization, Salt Dependency, and the Role of Electrostatic and Hydrophobic Effects, HPLC of Formula: 23616-79-7, the publication is Environmental Science & Technology (2013), 47(24), 14224-14232, database is CAplus and MEDLINE.

Sorption to the phyllosilicate clay minerals Illite, kaolinite, and bentonite has been studied for a wide variety of organic cations using a flow-through method with fully aqueous medium as the eluent. Linear isotherms were observed at concentrations below 10% of the cation-exchange capacity (CEC) for Illite and kaolinite and below 1 mmol/kg (<1% CEC) for bentonite. Sorption to clays was strongly influenced by the electrolyte composition of the eluent but with a consistent trend for a diverse set of compounds on all clays, thus allowing for empirical correction factors. When sorption affinities for a given compound to a given clay are normalized to the CEC of the clay, the differences in sorption affinities between clays are reduced to less than 0.5 log units for most compounds Although CEC-normalized sorption of quaternary ammonium compounds to clay was up to 10-fold higher than CEC-normalized sorption to soil organic matter, CEC-normalized sorption for most compounds was comparable between clays and soil organic matter. The clay fraction is thus a potentially relevant sorption phase for organic cations in many soils. The sorption data for organic cations to clay showed several regular trends with mol. structure but also showed quite a few systematic effects that we cannot explain. A model on the basis of the mol. size and charge d. at the ionized nitrogen is used here as a tool to obtain benchmark values that elucidate the effect of specific polar moieties on the sorption affinity.

Environmental Science & Technology published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, HPLC of Formula: 23616-79-7.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Droge, Steven T. J.’s team published research in Environmental Science & Technology in 47 | CAS: 23616-79-7

Environmental Science & Technology published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, Name: N-Benzyl-N,N-dibutylbutan-1-aminium chloride.

Droge, Steven T. J. published the artcileIon-Exchange Affinity of Organic Cations to Natural Organic Matter: Influence of Amine Type and Nonionic Interactions at Two Different pHs, Name: N-Benzyl-N,N-dibutylbutan-1-aminium chloride, the publication is Environmental Science & Technology (2013), 47(2), 798-806, database is CAplus and MEDLINE.

Sorption to standard soil organic matter (SOM) was studied for a wide variety of organic cations using a flow through method with fully aqueous medium as eluent. SOM sorption for weak bases (pKa 4.5-7) was stronger at pH 4.5 than at pH 7, indicating that the ion-exchange affinity of the cationic species to SOM was higher than the bulk partition coefficient of corresponding neutral species to SOM. At pH 4.5-7, the effect of pH on the sorption coefficients for strong bases with pKa >7 was small, within 0.3 log units. For cations with the mol. formula CxHyN, sorption was accurately predicted by a model accounting for size (increase with alkyl chain length) and type of charged group (1° amine >4° ammonium of equal size). In addition to the CxHyN-model, several empirical correction factors were derived from the data for organic cations with polar functional groups. Models based on KOW or pKa fail to explain differences in sorption affinity of the ionic species. Our data on ion-exchange affinities for 80 organic cations show many examples where specific chem. moieties, for example, CH2-units, aromatic rings or hydroxyl groups, contribute differently to the sorption coefficient as compared to bulk partitioning data of neutral compounds Other sorption models that were evaluated to explain variation between compounds suffered from outliers of >1 log unit and did not reduce relative log mean standard errors <0.5. A wider range of sorption coefficients and more sorption data in general are required to improve modeling efforts further.

Environmental Science & Technology published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, Name: N-Benzyl-N,N-dibutylbutan-1-aminium chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics