Month: October 2022

Molander, Gary A.; Trice, Sarah L. J.; Tschaen, Brittany published the artcile< A modified procedure for the palladium catalyzed borylation/Suzuki-Miyaura cross-coupling of aryl and heteroaryl halides utilizing bis-boronic acid>, HPLC of Formula: 1435-43-4, the main research area is heterocycle aryl compound preparation; aryl halide heteroaryl halide Suzuki Miyaura cross coupling; bisboronic acid; Borylation; Cross-Coupling; Tetrahydroxydiboron; bis-Boronic Acid.

A modified Pd-catalyzed method of forming aryl- and heteroarylboron species and a two-step, one-pot borylation/Suzuki-Miyaura cross coupling using the atom economical tetrahydroxydiboron (bis-boronic acid, BBA) is reported. By using ethylene glycol as an additive, the new method results in increased yields, lower BBA loading, faster reaction times, and a broader reaction scope, including previously problematic substrates such as heterocycles e. g., I.

Tetrahedron published new progress about Aromatic compounds Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, HPLC of Formula: 1435-43-4.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ishimaru, Hiromasa; Tsuda, Yasumasa; Kage, Hidenori; Kawano, Tomoaki; Takayama, Shinji; Morimoto, Yoshihito; Goto, Kazumi; Watanabe, Kazuhiro published the artcile< Pressure compatibility test of closed system drug transfer devices for 71 anticancer drugs>, Category: chlorides-buliding-blocks, the main research area is drug transfer device pressure compatibility anticancer agent.

Occupational exposure to anticancer drugs may increase the risk of cancer and the risk of miscarriage and stillbirth, and cause other adverse events such as hypersensitivity reactions, skin/mucous reactions, and digestive symptoms. Several studies have investigated the use of closed-system drug-transfer devices (CSTDs) to reduce the environmental pollution by hazardous drugs. However, few reports have verified whether CSTDs contain the hazardous drugs within the vials. The BD PhaSeal System is a CSTD that is frequently used in Japan. However, the fit of each anti-cancer drug vial has not been investigated. We investigated the fit of 71 major anti-cancer drug vials and protectors released and frequently used in Japan by means of a pressure compatibility test that we developed. The pressure compatibility test involved attaching a three-way stopcock to a Luer lock syringe and attaching an injector in line with the syringe. The pressure tubing was connected to the other side of the three-way stopcock and connected to the pressure inlet of the pressure gauge. The pressure in the anti-cancer drug vial was raised to 100 kPa and connected/disconnected repeatedly. If the pressure fluctuation during the 10th connection was within 6%, it was defined as “”no change””, and the compatibility of the protector and the vial was evaluated. The median pressure reduction rates at the 10th connection ranged from -1.98% to -4.95%. All drugs surveyed had an error rate within 6%. The BDPhaSeal Protector was shown to be compatible with the 71 anti-cancer drugs we surveyed.

Yakugaku Zasshi published new progress about Antitumor agents. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Wang, Xiu; Wang, Zhenhua; Ishida, Takumi; Nishihara, Yasushi published the artcile< Methoxylation of Acyl Fluorides with Tris(2,4,6-trimethoxyphenyl)phosphine via C-OMe Bond Cleavage under Metal-Free Conditions>, Computed Properties of 17082-09-6, the main research area is methyl ester preparation; methoxylation acyl fluoride methoxyphenylphosphine.

Aryl fluorides (prepared from the corresponding aryl chlorides) underwent methoxylation reactions with tris(2,4,6-trimethoxyphenyl)phosphine (TMPP) (in the absence of added metal catalysts or reagents) in toluene to yield Me esters.

Journal of Organic Chemistry published new progress about Acid chlorides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Computed Properties of 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chakraborty, Subhasish K.; Chakraborty, Savitri; Bhattacharyya, Anjan; Chowdhury, Ashim published the artcile< Photolysis of oxyfluorfen in aqueous methanol>, Synthetic Route of 35852-58-5, the main research area is UV sunlight oxyfluorfen methanol photolysis.

Photolysis of oxyfluorfen, an herbicide of the nitrodiphenyl ether class, was studied in aqueous methanol under UV and sunlight. UV irradiation was carried out in a borosilicate glass photoreactor (containing 250 ppm oxyfluorfen in 50% aqueous methanol) equipped with a quartz filter and 125 W mercury lamp (maximum output 254 nm) at 25 ± 1°C. Sunlight irradiation was conducted at 28 ± 1°C in borosilicate Erlenmeyer flasks containing 250 ppm oxyfluorfen in 50% aqueous methanol. The samples from both the irradiated conditions were withdrawn at a definite time interval and extracted to measure oxyfluorfen content by gas chromatog.-flame ionization detector for rate study. The half-life values were 20 h and 2.7 days under UV and sunlight exposure, resp. Photolysis of oxyfluorfen yielded 13 photoproducts of which three were characterized by IR spectrophotometer and 1H NMR and 13C NMR spectroscopy. The rest of the photoproducts were identified by gas chromatog.-mass spectrometry (GC-MS) and thin layer chromatog. (TLC). An ionization potential 70 eV was used for electron impact-mass spectrometry (EI-MS) and methane was used as reagent gas for chem. ionization-mass spectrometry (CI-MS). Two of the photoproducts were also synthesized for comparison. The main phototransformation pathways of oxyfluorfen involved nitro reduction, dechlorination, and hydrolysis as well as nucleophiles displacement reaction.

Journal of Environmental Science and Health, Part B: Pesticides, Food Contaminants, and Agricultural Wastes published new progress about Chemical ionization mass spectrometry. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Synthetic Route of 35852-58-5.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Li, Rongrong; Yao, Ganbing; Xu, Hui; Zhao, Hongkun published the artcile< Solid-Liquid Equilibrium and Phase Diagram for the Ternary 4-Chlorophthalic Anhydride + 3-Chlorophthalic Anhydride + Ethyl Acetate System>, Application of C8H3ClO3, the main research area is phase diagram ternary system chlorophthalic anhydride isomer ethyl acetate; solubility ternary system chlorophthalic anhydride isomer ethyl acetate.

The mutual solubility for ternary system of 4-chlorophthalic anhydride + 3-chlorophthalic anhydride + Et acetate was measured exptl. at different temperatures Four isothermal phase diagrams of the system were constructed based on the measured solubility At each temperature, there existed two pure solid phases, pure 4-chlorophthalic anhydride and pure 3-chlorophthalic anhydride, which were identified by the Schreinemakers’ wet residue method. When temperature decreases, the crystallization regions of 4-chlorophthalic anhydride and 3-chlorophthalic anhydride increase. At a certain temperature, the crystallization region of 4-chlorophthalic anhydride is smaller than that of 3-chlorophthalic anhydride.

Journal of Chemical & Engineering Data published new progress about Phase diagram. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Application of C8H3ClO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Xie, Dengbing; Zhang, Songlin published the artcile< Selective Reduction of Quinolinones Promoted by a SmI2/H2O/MeOH System>, Recommanded Product: (E)-Cinnamoyl chloride, the main research area is dihydroquinolinone preparation; quinolinone selective reduction.

The selective reduction of quinolin-2(1H)-ones promoted by a SmI2/H2O/MeOH system is reported for the first time. The reaction is effectively carried out to afford 3,4-dihydroquinoline-2(1H)-ones under mild conditions in a one-pot fashion with good to excellent yields.

Journal of Organic Chemistry published new progress about Chemoselectivity. 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Recommanded Product: (E)-Cinnamoyl chloride.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Brinck, Tore; Carlqvist, Peter; Stenlid, Joakim H. published the artcile< Local Electron Attachment Energy and Its Use for Predicting Nucleophilic Reactions and Halogen Bonding>, Name: 1-Chloro-3,5-difluorobenzene, the main research area is electron attachment prediction nucleophilic reaction halogen bond B3LYP MP2.

A new local property, the local electron attachment energy [E(r)], is introduced and is demonstrated to be a useful guide to predict intermol. interactions and chem. reactivity. The E(r) is analogous to the average local ionization energy, but indicates susceptibility toward interactions with nucleophiles rather than electrophiles. The functional form E(r) is motivated based on Janak’s theorem and the piecewise linear energy dependence of electron addition to at. and mol. systems. Within the generalized Kohn-Sham method (GKS-DFT), only the virtual orbitals with neg. eigenvalues contribute to E(r). In the present study E(r) has been computed from orbitals obtained from GKS-DFT computations with a hybrid exchange-correlation functional. It is shown that E(r) computed on a mol. isodensity surface, ES(r), reflects the regioselectivity and relative reactivity for nucleophilic aromatic substitution, nucleophilic addition to activated double bonds, and formation of halogen bonds. Good to excellent correlations between exptl. or theor. measures of interaction strengths and min. in ES(r) (ES,min) are demonstrated.

Journal of Physical Chemistry A published new progress about Bond activation. 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Name: 1-Chloro-3,5-difluorobenzene.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Rahman, A. K. Fazlur; Bennett, Martin A. published the artcile< Protonation of Group 9 Metal (Co, Rh, Ir) Coordinated Bicyclo-[2.2.1]-hepta-2,5-diene and Bicyclo[2.2.2]octa-2,5-diene complexes: Facile Activation of Carbon-Carbon Bond in Bicyclo-[2.2.1]hepta-2,5-diene via M-H or M-H-C interactions>, Related Products of 67421-02-7, the main research area is protonation norbornadiene bicyclooctadiene Group 9 half sandwich bond activation; carbon carbon bond activation protonation cyclopentadienyl cobalt rhodium iridium; crystal mol structure norbornadiene bicyclooctadiene cyclopentadienyl complex.

The activation of C-C bond in coordinated M (η4-bicyclo[2.2.1]heptadiene) (NBD) via protonation for 3d, 4d and 5d transition metals have been examined Monoprotonation of the diolefin complexes [M(η5-C5R5)(η4-NBD)] (R = H, Me; M = Co, Rh), with CF3COOH or CF3SO3H forms transient agostic metal hydrides (M-H-C) at -80°. Similar reaction with HPF6 (60% aqueous), the Ir analogs give terminal hydrides [IrH(η5-C5Me4R)(η4-NBD)][PF6] (R = Me, or Et) as isolable solids at room temperature All these hydride complexes coordinated to NBD subsequently undergo ligand migration to give stable η2-vinyl η3-cyclopentenyl cations [M(η5-C5R5)(C7H9)]+ (M = Co, Rh, Ir). Protonation of the cobalt and rhodium coordinated bicyclo[2.2.2]octa-2,5-diene (BCOD) gives unstable M-H-C ground state structures at -80°, which decompose upon warming to room temperature Protonation reactions of the BCOD complexes of Ir also give terminal hydrides [IrH(η5-C5Me5)(η4-BCOD)][PF6] as solids. Thermolysis of [IrH(η5-C5Me5)(η4-BCOD)][PF6] did not give the expected, isomerized or C-C bond activated product, probably because BCOD is less strained than NBD. Coupling constant [JCH] and stretching frequency [ν M-H] data indicate the electron d. donation from the Me groups in the Cp ring favors agostic structures. The C-C bond activation in the coordinated norbornadiene, via hydride migration is slower for the terminal hydride, M-H (M = Ir) compared to agostic hydrides for (M = Co, Rh) compounds The vinyl cyclopentenyl cations of Rh, Ir undergo further isomerization in CF3COOH to give corresponding η6-toluene cations [M(η5-C5R5)(η6-C6H5CH3)]+. At 50° in vacuo the salt [(η5-C5Me5)Ir(H)(η4-NBD)][PF6] forms a neutral tetramethylfulvenyliridium complex [(η5-C5Me4:CH2)Ir(η4-NBD)] by C-H activation of a Me group in the C5Me5 ring.

Journal of Organometallic Chemistry published new progress about Agostic bond. 67421-02-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C24H36Cl4Ru2, Related Products of 67421-02-7.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics