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1.
《化学:亚洲杂志》2017,12(24):3141-3149
Constructing insensitive high‐performance energetic coordination polymers (ECPs) with alkali/alkali‐earth metal ions and a nitrogen‐rich organic backbone has been proved to be a feasible strategy in this work. Six diverse dimensional novel ECPs (compounds 1 – 6 ) were successfully synthesized from NaI, CsI, CaII, SrII, BaII ions and a nitrogen‐rich triheterocyclic 4,5‐bis(tetrazol‐5‐yl)‐2 H ‐1,2,3‐triazole (H3BTT). All compounds show outstanding stability and low sensitivity, the thermal stability of these ECPs are significantly improved as the structural reinforcement increases from 1D to 3D, in which the decomposition temperature of 3D BaII based compound 6 is as high as 397 °C. Long‐term storage experiments show that compounds 5 and 6 are stable enough at high temperature. Moreover, the six compounds hold considerable detonation performances, in which CaII based compound 5 possesses the detonation velocity of 9.12 km s−1, along with the detonation pressure of 34.51 GPa, exceeding those of most energetic coordination polymers. Burn tests further certify that the six compounds can be versatile pyrotechnics. 相似文献
2.
James V. Crivello Shao S. Liu 《Journal of polymer science. Part A, Polymer chemistry》1999,37(8):1199-1209
Starting with nopol [(R)‐(−)‐2‐(2′‐hydroxyethyl)‐6,6‐dimethyl‐8‐oxatricyclo[3.1.1.12,3]octane, I] as a substrate, two new, interesting monomers, allyl nopol ether epoxide III and nopol 1‐propenyl ether epoxide IV, were prepared. The photoinitiated cationic polymerizations of these two monomers as well as several other model compounds were studied using real‐time infrared spectroscopy. Surprisingly, the rates of epoxide ring‐opening polymerization of both monomers were enhanced as compared to those of the model compounds. Two different mechanisms which involve the free radical induced decomposition of the diaryliodonium salt photoinitiator were proposed to explain the rate acceleration effects. © 1999 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 37: 1199–1209, 1999 相似文献
3.
Franciszek Saczewski Anita Bulakowska Maria Gdaniec 《Journal of heterocyclic chemistry》2002,39(5):911-915
The ureidation reactions of 2‐ and 4‐picoline N‐oxides with 2‐chloro‐4,5‐dihydroimidazole are described. A mechanism of novel thioureidation reaction of 4‐picoline N‐oxide with 2‐(4,5‐dihydro‐1H‐imidazol‐2‐ylthioxy)‐4,5‐dihydro‐1H‐imidazole is proposed. Structural assignment is confirmed by 1H and 13C nmr as well as by X‐ray crystallography. 相似文献
4.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(7):839-846
The syntheses of nine new 5‐iodosalicylic acid‐based 1,3,4‐oxadiazoline derivatives starting from methyl salicylate are described. These compounds are 2‐[4‐acetyl‐5‐methyl‐5‐(3‐nitrophenyl)‐4,5‐dihydro‐1,3,4‐oxadiazol‐2‐yl]‐4‐iodophenyl acetate ( 6a ), 2‐[4‐acetyl‐5‐methyl‐5‐(4‐nitrophenyl)‐4,5‐dihydro‐1,3,4‐oxadiazol‐2‐yl]‐4‐iodophenyl acetate ( 6b ), 2‐(4‐acetyl‐5‐methyl‐5‐phenyl‐4,5‐dihydro‐1,3,4‐oxadiazol‐2‐yl)‐4‐iodophenyl acetate, C19H17IN2O4 ( 6c ), 2‐[4‐acetyl‐5‐(4‐fluorophenyl)‐5‐methyl‐4,5‐dihydro‐1,3,4‐oxadiazol‐2‐yl]‐4‐iodophenyl acetate, C19H16FIN2O4 ( 6d ), 2‐[4‐acetyl‐5‐(4‐chlorophenyl)‐5‐methyl‐4,5‐dihydro‐1,3,4‐oxadiazol‐2‐yl]‐4‐iodophenyl acetate, C19H16ClIN2O4 ( 6e ), 2‐[4‐acetyl‐5‐(3‐bromophenyl)‐5‐methyl‐4,5‐dihydro‐1,3,4‐oxadiazol‐2‐yl]‐4‐iodophenyl acetate ( 6f ), 2‐[4‐acetyl‐5‐(4‐bromophenyl)‐5‐methyl‐4,5‐dihydro‐1,3,4‐oxadiazol‐2‐yl]‐4‐iodophenyl acetate ( 6g ), 2‐[4‐acetyl‐5‐methyl‐5‐(4‐methylphenyl)‐4,5‐dihydro‐1,3,4‐oxadiazol‐2‐yl]‐4‐iodophenyl acetate ( 6h ) and 2‐[5‐(4‐acetamidophenyl)‐4‐acetyl‐5‐methyl‐4,5‐dihydro‐1,3,4‐oxadiazol‐2‐yl]‐4‐iodophenyl acetate ( 6i ). The compounds were characterized by mass, 1H NMR and 13C NMR spectroscopies. Single‐crystal X‐ray diffraction studies were also carried out for 6c , 6d and 6e . Compounds 6c and 6d are isomorphous, with the 1,3,4‐oxadiazoline ring having an envelope conformation, where the disubstituted C atom is the flap. The packing is determined by C—H…O, C—H…π and I…π interactions. For 6e , the 1,3,4‐oxadiazoline ring is almost planar. In the packing, Cl…π interactions are observed, while the I atom is not involved in short interactions. Compounds 6d , 6e , 6f and 6h show good inhibiting abilities on the human cancer cell lines KB and Hep‐G2, with IC50 values of 0.9–4.5 µM. 相似文献
5.
The crystal and molecular structures of a series of structurally related 1,2,3‐triazole‐4,5‐dicarboxylate (LHtzdc = 1,2,3‐triazole‐4,5‐dicarboxylate) ligands for second metal ions were established via single‐crystal X‐ray structural analysis. [Cu (en)]2+ (en = ethylenediamine) was selected as a second metal ion, the two spare sites of the O atom from LHtzdc are coordinated to a single [Cu (en)]2+, and the [Cu (en)]2+ metal centres act as two outer pockets, which is an effective and innovative method of controlling the assembly of heterometallic cages. 相似文献
6.
Dr. F. Pointillart T. Guizouarn B. Lefeuvre Dr. S. Golhen Dr. O. Cador Dr. L. Ouahab 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(47):16929-16934
The rational synthesis of the 2‐{1‐methylpyridine‐N‐oxide‐4,5‐[4,5‐bis(propylthio)tetrathiafulvalenyl]‐1H‐benzimidazol‐2‐yl}pyridine ligand ( L ) is described. It led to the tetranuclear complex [Dy4(tta)12( L )2] ( Dy‐Dy2‐Dy ) after coordination reaction with the precursor Dy(tta)3?2 H2O (tta?=2‐thenoyltrifluoroacetonate). The X‐ray structure of Dy‐Dy2‐Dy can be described as two terminal mononuclear units bridged by a central antiferromagnetically coupled dinuclear complex. The terminal N2O6 and central O8 environments are described as distorted square antiprisms. The ac magnetism measurements revealed a strong out‐of‐phase signal of the magnetic susceptibility with two distinct sets of data. The high‐ and low‐frequency components were attributed to the two terminal mononuclear single‐molecule magnets (SMMs) and the central dinuclear SMM, respectively. A magnetic hysteresis loop was detected at very low temperature. From both structural and magnetic points of view, the tetranuclear SMM Dy‐Dy2‐Dy is a self‐assembly of two known mononuclear SMMs bridged by a known dinuclear SMM. 相似文献
7.
Taeseok Jang Paul G. Rasmussen 《Journal of polymer science. Part A, Polymer chemistry》2000,38(20):3828-3838
The electron accepting 1‐methyl‐4,5‐dicyanoimidazole group was attached to vinyl polymers, via an alkoxy link, by nucleophilic aromatic substitution (NAS) of 1‐methyl‐2‐fluoro‐4,5‐dicyanoimidazole ( 1 ) with poly(vinyl alcohol), or conventional polymerizations of vinyl monomers containing 1‐methyl‐2‐oxo‐4,5‐dicyanoimidazole. The cyclic voltammetry (CV) studies show that monomeric and oligomeric model compounds are electrochemically quasi‐reversible and the degree of reversibility decreases as dicyanoimidazoles become more proximate within a molecule. On the other hand, the polymers show much less reversible reduction waves at −2.6∼−2.7 V vs Ag/Ag+, suggesting that there are chemical reactions among the pendent groups reduced at relatively high potential. © 2000 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 38: 3828–3838, 2000 相似文献
8.
《液相色谱法及相关技术杂志》2012,35(4):577-587
Abstract The benzo(a)pyrene-4,5-epoxide (BP-4,5-epoxide) hydrase activities of intact hamster hepatocytes and embryo cells, and homogenates of these cells as well as of adult liver are compared. The product of the epoxide hydrase (EH) reaction, trans-4,5-dihydro-4,5-dihydroxybenzo(a)pyrene (BP-4,5-diol), was isolated by high-pressure liquid chromatography (HPLC) with a Waters Bondapak C18/Corasil column and acetonitrile-water as the mobile phase. Using this procedure to determine BP-4,5-epoxide hydrase activity in intact cells, it was found that 266 nmoles of BP-4,5-diol/106 cells were produced by hepatocytes while no diol formation was detected with embryo cells. EH activity in the intact hepatocytes was 8-fold greater than in hepatocyte homogenates. 相似文献
9.
A one‐pot and efficient synthesis of substituted N‐dichloroacetyl‐4,5‐dimethyl‐1,3‐oxazolidines utilizing the reaction of alkamine with aldehyde or ketone in refluxing benzene under microwave irradiation was described. The N‐acylation was followed with dichloroacetyl chloride and NaOH acting as the attaching acid agent. All compounds were characterized by IR, 1H NMR, 13C NMR, and element analysis. Additionally, the absolute configuration of 4a was determined by X‐ray crystallography. All the compounds were tested for their herbicide safeners activity of protecting the maize from the injury of acetochlor. 相似文献
10.
Qi‐Wei Lu Thomas R. Hoye Christopher W. Macosko 《Journal of polymer science. Part A, Polymer chemistry》2002,40(14):2310-2328
Two model urethane compounds, dibutyl 4,4′‐methylenebis(phenyl carbamate) (BMB) and dioctyl 4,4′‐methylenebis(phenyl carbamate) (OMO) were prepared by capping 4,4′‐methylenebis(phenyl isocyanate) with n‐butanol and n‐octanol, respectively. The reactions of the two model urethane compounds with several small monofunctional compounds as well as two model poly(ethylene glycols) were carried out with neat mixtures at elevated temperatures. The ranking of reactivity of the functional groups with the urethanes was determined as follows—primary amine > secondary amine ? hydroxyl ~ acid ~ anhydride ? epoxide. Nuclear magnetic resonance spectroscopy (NMR) was used for the quantitative analysis. Fourier transform infrared spectroscopy was used to complement the NMR analysis. Conversions of carbamate in each reaction were monitored over time at constant temperature (200 °C). The reactions between OMO and primary amine were conducted at 170, 180, 190, and 200 °C and best described with a second‐order bimolecular reaction model. The rate constant was estimated to be 1.8 × 10?3 L · mol?1 · s?1 and activation energy 115 kJ · mol?1. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 2310–2328, 2002 相似文献
11.
Yuan‐Ye Dang Xiao‐Cen Li Qing‐Wen Zhang Shao‐Ping Li Yi‐Tao Wang 《Journal of separation science》2010,33(11):1658-1664
Six volatile compounds, curdione ( 1 ), curcumol ( 2 ), germacrone ( 3 ), curzerene ( 4 ), 1,8‐cineole ( 5 ) and β‐elemene ( 6 ), were successfully isolated from the essential oil of Curcuma wenyujin by high‐performance centrifugal partition chromatography using a nonaqueous two‐phase solvent system consisting of petroleum ether‐acetonitrile‐acetone (4:3:1 v/v/v). A total of 8 mg of curdione ( 1 ), 4 mg of curcumol ( 2 ), 10 mg of germacrone ( 3 ), 18 mg of curzerene ( 4 ), 9 mg of 1,8‐cineole ( 5 ) and 17 mg of β‐elemene ( 6 ) were isolated from the essential oil (300 mg) in 500 min. Their structures were determined by comparison of their retention times and MS data with those of the authentic samples as well as NMR spectroscopic analysis. 相似文献
12.
Elena I. Klimova Eduardo A. Vázquez López Marcos Flores Alamo Luis A. Ortiz‐Frade Gerardo Hernández‐Sánchez Victor H. Sotelo Domínguez Marcos Martínez García 《Journal of heterocyclic chemistry》2012,49(5):1156-1162
2,3‐Differocenyl‐ and 2,3‐dianisyl‐1‐methylsulfanylcyclopropenilium iodides react with 1,3‐diphenyl‐ and 1,3‐di‐o‐tolylguanidine to give 1‐aryl‐2‐arylimino‐5,6‐ ( 5a , 5b ) and ‐4,5‐diferrocenyl‐1,2‐dihydropyrimidines ( 6a , 6b ) (~ 2:1) and, respectively, 5,6‐ and 4,5‐dianisyl‐3‐phenyl‐2‐phenylimino‐1,2‐dihydropyrimidines (~ 2:1). Their structures were established based on the spectroscopic data and X‐ray diffraction analysis of 5,6‐diferrocenyl‐1‐(o‐tolyl)‐2‐(o‐tolyl)imino‐ and 4,5‐diferrocenyl‐1‐phenyl‐2‐phenylimino‐1,2‐dihydropyrimidines ( 5b and 6a , respectively). Electrochemical behavior of compounds 5b, 6b, and 5a+6a were investigated using experiments of cyclic voltammetry and chronoamperometry. For all the compounds, two electrochemical processes ( I , II ), attributed to the oxidations of the ferrocenes moieties were observed. The values of ΔE0′ ( II‐I ) and comproportionation constant Kcom are also reported. Additionally, an electrochemical oxidation with a fast coupled chemical reaction related to the pyrimide ring was also detected. 相似文献
13.
Efficient Synthesis of 1,3‐Dithiol‐2‐one Derivatives via 4,5‐Bis(dibromomethyl)‐1,3‐dithiol‐2‐one 下载免费PDF全文
Gao‐Nan Li Guang‐Ying Chen Zhi‐Gang Niu Bing‐Xin Lei Hua‐Jie Feng 《Journal of heterocyclic chemistry》2014,51(Z1):E367-E371
A series of 1,3‐dithiol‐2‐one derivatives via [4 + 2] Diels–Alder cycloaddition reaction of 4,5‐bis(dibromomethyl)‐1,3‐dithiol‐2‐one with vinyl‐substituted compounds have been synthesized. Structures of all the newly synthesized compounds are well supported by spectral data such as 1H‐NMR, MS, and elemental analysis. The structures of IVf and IVg have been analyzed by X‐ray crystallography. 相似文献
14.
Ivana Ozimec Landek Dijana Pešić Mladen Merćep Barbara Stanić Milan Mesić 《Journal of heterocyclic chemistry》2011,48(4):856-863
Synthesis of a novel class of fused heterotetracyclic compounds, 8H‐1‐thia‐8‐aza‐dibenzo[e,h]azulenes ( VII ), is described. Starting N‐benzoyl‐protected 5H‐dibenzo[b,f]azepine ( XI , PG = Bz) was oxidized to 5‐benzoyl‐10,11‐epoxy‐10,11‐dihydro‐5H‐dibenzo[b,f]azepine ( 2 ), which subsequently rearranged in Lewis acid‐induced epoxide ring opening to give 5‐benzoyl‐5,11‐dihydro‐10H‐dibenzo[b,f]azepin‐10‐one ( 3 ). Vilsmeier reaction of 3 provided β‐chlorovinyl aldehyde 4 that readily cyclized with ethyl 2‐mercaptoacetate to form dibenzazepino[4,5]‐fused thiophene structure 5 . Further transformation of substituent at C‐2 position of 5 and N‐deprotection led to final aminoalkoxy derivatives 9 . All compounds with tetracyclic skeleton were tested in vitro for their anti‐inflammatory activity. J. Heterocyclic Chem., (2011). 相似文献
15.
16.
Kumar Parvin 《中国化学》2010,28(2):250-254
Synthesis of bis‐1,3‐{6′‐arylimidazo[2,1‐b][1,3,4]thiadiazol‐2‐yl}‐1,2,2‐trimethylcyclopentane ( 3 ), bis‐1,3‐{thiadiazolo[2′,3′:2,1]imidazo[4,5‐b]quinoxalinyl}‐1,2,2‐trimethylcyclopentane ( 5 ) has been achieved by the reaction of bis‐(5′‐amino‐1′,3′,4′‐thiadiazolyl)‐1,2,2‐trimethylcyclopentane with α‐haloketones, 2,3‐dichloroquinoxaline respectively. Bromination of compound 3 furnished bis‐1,3‐{5′‐bromo‐6′‐arylimidazo[2,1‐b][1,3,4]thiadiazol‐2‐yl}‐1,2,2‐trimethylcyclopentane ( 4 ). The structural assignment of these compounds was supported by IR, 1H NMR and elemental analysis data. The antimicrobial, anti‐inflammatory and antifungal activities of some of the compounds have also been evaluated. 相似文献
17.
Phenanthro[4,5‐fgh]quinoxaline‐Fused Subphthalocyanines: Synthesis,Structure, and Spectroscopic Characterization 下载免费PDF全文
Houhe Pan Wenbo Liu Chiming Wang Kang Wang Prof. Dr. Jianzhuang Jiang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(28):9488-9492
A series of four phenanthro[4,5‐fgh]quinoxaline‐fused subphthalocyanine derivatives 0 – 3 containing zero, one, two, and three phenanthro[4,5‐fgh]quinoxaline moieties, respectively, were isolated from the mixed cyclotrimerization reaction of 2,9‐di‐tert‐butylphenanthro[4,5‐fgh]quinoxaline‐5,6‐dicarbonitrile with 4,5‐bis(2,6‐diisopropylphenoxy)phthalonitrile and characterized by a series of spectroscopic methods including MALDI‐TOF mass, 1H NMR, electronic absorption, magnetic circular dichroism (MCD), and fluorescence spectroscopy. The molecular structures for the compounds 0 and 2 were clearly revealed on the basis of single‐crystal X‐ray diffraction analysis. Their electrochemical properties were also studied by cyclic voltammetry. In particular, theoretical calculations in combination with the electronic absorption and electrochemical analyses revealed the significant influence of the fused‐phenanthro[4,5‐fgh]quinoxaline units on the electronic structures. 相似文献
18.
Graham Smith Urs D. Wermuth 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(7):o374-o380
The structures of the proton‐transfer compounds of 4,5‐dichlorophthalic acid (DCPA) with the aliphatic Lewis bases triethylamine, diethylamine, n‐butylamine and piperidine, namely triethylaminium 2‐carboxy‐4,5‐dichlorobenzoate, C6H16N+·C8H3Cl2O4−, (I), diethylaminium 2‐carboxy‐4,5‐dichlorobenzoate, C4H12N+·C8H3Cl2O4−, (II), bis(butanaminium) 4,5‐dichlorobenzene‐1,2‐dicarboxylate monohydrate, 2C4H12N+·C8H2Cl2O42−·H2O, (III), and bis(piperidinium) 4,5‐dichlorobenzene‐1,2‐dicarboxylate monohydrate, 2C5H12N+·C8H2Cl2O42−·H2O, (IV), have been determined at 200 K. All compounds have hydrogen‐bonding associations, giving discrete cation–anion units in (I) and linear chains in (II), while (III) and (IV) both have two‐dimensional structures. In (I), a discrete cation–anion unit is formed through an asymmetric R12(4) N+—H...O2 hydrogen‐bonding association, whereas in (II), chains are formed through linear N—H...O associations involving both aminium H‐atom donors. In compounds (III) and (IV), the primary N—H...O‐linked cation–anion units are extended into a two‐dimensional sheet structure via amide–carboxyl N—H...O and amide–carbonyl N—H...O interactions. In the 1:1 salts (I) and (II), the hydrogen 4,5‐dichlorophthalate anions are essentially planar with short intramolecular carboxyl–carboxyl O—H...O hydrogen bonds [O...O = 2.4223 (14) and 2.388 (2) Å, respectively]. This work provides a further example of the uncommon zero‐dimensional hydrogen‐bonded DCPA–Lewis base salt and the one‐dimensional chain structure type, while even with the hydrate structures of the 1:2 salts with the primary and secondary amines, the low dimensionality generally associated with 1:1 DCPA salts is also found. 相似文献
19.
Giovanni Grassi Massimiliano Cordaro Giuseppe Bruno Francesco Nicol 《Helvetica chimica acta》2002,85(1):196-205
The structures of 6‐methyl‐4,8,9‐triphenyl‐2‐oxa‐3,7‐diazaspiro[4.4]nona‐3,6‐dien‐1‐one ( 3 ) and N‐[(2‐Methyl‐4,5‐diphenyl‐1H‐pyrrole‐3‐carbonyl)oxy]benzamide ( 4 ) were established by X‐ray crystal‐structure analysis. A significant improvement in the procedure currently available for the synthesis of these compounds is described. Ab initio and DFT calculations were carried out on the compound 4 and its precursor 3 , and compared with X‐ray results. In particular, to relate structural features to biological properties, the conformational characteristics and rotational barrier of compound 4 were studied. 相似文献
20.
The photochemical behavior of various substituted epoxycarbonyl compounds consisting of more than one possible photo‐labile site (i.e. δ‐hydrogen, β‐hydrogen and epoxide ring) has been investigated. These compounds on photo‐irradiation produced the β‐hydroxyenones in an eco‐friendly green approach. Mechanistically, these photo‐transformations have been envisaged to occur via an intramolecular β‐hydrogen abstraction by the carbonyl group of benzoyl moiety to generate the 1,3‐biradical followed by epoxide ring opening that isomerizes into the photoproducts. The photolysis of the probed epoxy ketones didn’t furnish any photoproduct through δ‐hydrogen abstraction, whatsoever. This exclusive preference for β‐H abstraction over δ‐H abstraction by carbonyl group has been vindicated by the MM2 energy mini‐ mized program for the investigated photochemical substrates. The structures of these photoproducts were established from the analysis of their spectral parameters (IR, 1H/13C NMR and Mass) and single crystal X‐ray crystallography data. 相似文献