F:Flammable;
75-26-3Relevant articles and documents
Synthesis, characterization, crystal structure, and antimicrobial studies of 2-morpholinoethyl-substituted benzimidazolium salts and their silver(I)-N-heterocyclic carbene complexes
Y?ld?r?m, I??l,Akta?, Ayd?n,Celepci, Duygu Barut,K?rba?, Sevda,Kutlu, Türkan,G?k, Yetkin,Aygün, Muhittin
, p. 6379 - 6393 (2017)
This article describes synthesis of N-morpholinoethylbenzimidazole (1), 2-morpholinoethyl-substituted benzimidazolium salts (NHC precursors, 2a–c), and their Ag(I) N-heterocyclic carbene (NHC) complexes (3a–c). All compounds were characterized by 1H and 13C Nuclear Magnetic Resonance (NMR), Fourier Transform Infrared Spectroscopy (FTIR), and elemental analysis, and their antimicrobial effects examined. The molecular structure of the NHC precursor 2a1 was established by single-crystal X-ray diffraction analysis. Minimum Inhibition Concentration (MIC) values were determined to evaluate their antimicrobial activity against Gram-negative Escherichia coli and Gram-positive Staphylococcus aureus bacterial strains and Candida albicans fungal species. All tested samples were compared with silver nitrate. All the compounds exhibited strong antimicrobial activity.
Induced Fitting and Polarization of a Bromine Molecule in an Electrophilic Inorganic Molecular Cavity and Its Bromination Reactivity
Hayashi, Yoshihito,Inada, Yasuhiro,Katayama, Misaki,Kikukawa, Yuji,Kitajima, Hiromasa,Seto, Kensuke,Watanabe, Daiki,Yamashita, Shohei
supporting information, p. 14399 - 14403 (2020/07/13)
Dodecavanadate, [V12O32]4? (V12), possesses a 4.4 ? cavity entrance, and the cavity shows unique electrophilicity. Owing to the high polarizability, Br2 was inserted into V12, inducing the inversion of one of the VO5 square pyramids to form [V12O32(Br2)]4? (V12(Br2)). The inserted Br2 molecule was polarized and showed a peak at 185 cm?1 in the IR spectrum. The reaction of V12(Br2) and toluene yielded bromination of toluene at the ring, showing the electrophilicity of the inserted Br2 molecule. Compound V12(Br2) also reacted with propane, n-butane, and n-pentane to give brominated alkanes. Bromination with V12(Br2) showed high selectivity for 3-bromopentane (64 %) among the monobromopentane products and preferred threo isomer among 2-,3-dibromobutane and 2,3-dibromopenane. The unique inorganic cavity traps Br2 leading the polarization of the diatomic molecule. Owing to its new reaction field, the trapped Br2 shows selective functionalization of alkanes.
Sulfonyl halide synthesis by thiol oxyhalogenation using NBS/NCS – iPrOH
Silva-Cuevas, Carolina,Perez-Arrieta, Carlos,Polindara-García, Luis A.,Lujan-Montelongo, J. Armando
, p. 2244 - 2247 (2017/05/16)
A rapid and facile method provides a general route to sulfonyl bromides/chlorides by the oxidation of thiols using NXS – ROH (X?=?Br,Cl, R?=?iPr) as an oxyhalogenation reagent. Control experiments suggest that the alcohol component is the source of oxygen. The proposed method enable the access to structurally diverse sulfonyl bromides and chlorides including challenging examples, inaccessible by other synthetic methods.
METHODS AND COMPOSITIONS FOR TREATING HIV-RELATED DISORDERS
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Paragraph 0213, (2016/02/10)
Certain adjunctive therapies comprising a kynurenine-3-monooxygenase inhibitor and an antiviral agent for treating HIV-related disorders are provided herein. These disorders include AIDS dementia complex, AIDS-induced encephalopathy, HIV-associated neurocognitive disorder, asymptomatic neurocognitive impairment, minor neurocognitive disorder, minor cognitive motor disorder, vacuolar myelopathy, peripheral neuropathies, and polymyositis. Also provided are pharmaceutical compositions comprising a kynurenine-3- monooxygenase inhibitor and an antiviral agent.
Ruthenium bipyridyl tethered porous organosilica: A versatile, durable and reusable heterogeneous photocatalyst
Jana, Avijit,Mondal, John,Borah, Parijat,Mondal, Sujan,Bhaumik, Asim,Zhao, Yanli
supporting information, p. 10746 - 10749 (2015/06/30)
A versatile heterogeneous photocatalysis protocol was developed by using ruthenium bipyridyl tethered porous organosilica (Ru-POS). The versatility of the Ru-POS catalyst in organo-photocatalysis was explored by (i) oxidative aromatization of Hantzsch ester, (ii) reductive dehalogenation of alkyl halides, and (iii) functional group interconversion (FGI) of alcohols to alkyl halides. This journal is
On the mechanism of the palladium bis(NHC) complex catalyzed CH functionalization of propane: Experiment and DFT calculations
Munz, Dominik,Strassner, Thomas
, p. 14872 - 14879 (2015/04/16)
We report a detailed mechanistic study on the CH functionalization of alkanes by palladium complexes with chelating bis(N -heterocyclic carbene) (NHC) complexes. The experimental results are complemented by detailed DFT calculations, which allow us to rationalize the regioselectivity and the catalytic activity. The study includes a library of catalysts with different electronic and steric properties, kinetic data, and isotope effects. The combined experimental and computational results favor a mechanism involving organometallic palladium(IV) intermediates. Furthermore, it is shown that at high halide loadings a different mechanism is operative.
Synthesis of an H3 antagonist via sequential one-pot additions of a magnesium ate complex and an amine to a 1,4-ketoester followed by carbonyl-directed fluoride addition
Hawkins, Joel M.,Dube, Pascal,Maloney, Mark T.,Wei, Lulin,Ewing, Marcus,Chesnut, Stephen M.,Denette, Joshua R.,Lillie, Brett M.,Vaidyanathan, Rajappa
, p. 1393 - 1403 (2012/11/07)
We describe the development of an efficient and scalable process for the preparation of fluorocyclobutane-containing H3 antagonist, 1. The synthesis was accomplished by the chemoselective addition of a magnesium ate complex and an amine to a 1,4-ketoester in a one-pot sequence, followed by a diastereoselective carbonyl-directed fluorination. The chemoselective addition of the magnesium ate complex to the ketoester benefited from tight stoichiometric control, short addition times, and lower reaction temperatures, and thus was amenable to rapid mixing and excellent heat transfer in a flow reactor.
CONTINUOUS PROCESS FOR CONVERTING NATURAL GAS TO LIQUID HYDROCARBONS
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Page/Page column 66-67, (2010/04/03)
A method comprising: providing a first halogen stream; providing a first alkane stream; reacting at least a portion of the first halogen stream with at least a portion of the first alkane stream in a first reaction vessel to form a first halogenated stream; providing a second alkane stream comprising C2 and higher hydrocarbons; providing a second halogen stream; and reacting at least a portion of the second halogen stream with at least a portion of the second alkane stream in a second reaction vessel to form a second halogenated stream.
METHODS OF REMOVING IMPURITIES FROM ALKYL BROMIDES DURING DISTILLATION AND DISTILLATE PRODUCED THEREBY
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Page/Page column 6; 7, (2009/05/29)
Methods are provided for removing impurities from compositions comprising alkyl bromide. Such methods comprise combining such composition with at least one nonvolatile epoxide during distillation to purify the alkyl bromide. Ultra pure alkyl bromide compositions are also provided.
Highly efficient direct carboxylation of propane into butyric acids catalyzed by vanadium complexes
Kirillova, Marina V.,Da Silva, Jose A. L.,Da Silva, Joao J. R. Frausto,Palavra, Antonio F.,Pombeiro, Armando J. L.
, p. 1765 - 1774 (2008/02/11)
A direct and highly efficient carboxylation of propane by carbon monoxide into butyric acids (mainly isobutyric and, in a smaller amount, n-butyric), in the presence of potassium peroxodisulphate (K2S2O 8) and in trifluoroacetic acid solution, has been achieved by using a vanadium catalytic system based on Ca[V{ON(CH(CH3)COO) 2}2] (synthetic amavadine), its model compounds Ca[V{ON-(CH2COO)2}2] or [VO(N(CH 2CH2O)3}] - other simpler vanadium compounds, such as [VO(acac)2] or VOSO4, are less active. Overall yields (based on pro- ane) of carboxylic acids up to 70% and TON values up to 18.4 × 103 have been reached. The effects of various factors such as the propane and carbon monoxide pressures, temperature, time, catalyst amount and radical traps have been investigated, the reactions are shown to proceed via both C- and O-centred radicals, with K2S 2O8 playing the role of an oxidant via a free radical mechanism.
