- 1,5-Di(nitramino)tetrazole: High Sensitivity and Superior Explosive Performance
-
Highly energetic 1,5-di(nitramino)tetrazole and its salts were synthesized. The neutral compound is very sensitive and one of the most powerful non-nuclear explosives to date. Selected nitrogen-rich and metal salts were prepared. The potassium salt can be used as a sensitizer in place of tetracene. The obtained compounds were characterized by low-temperature X-ray diffraction, IR and Raman spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and DSC. Calculated energetic performances using the EXPLO5 code based on calculated (CBS-4M) heats of formation and X-ray densities support the high energetic performances of the 1,5-dinitraminotetrazolates as energetic materials. The sensitivities towards impact, friction, and electrostatic discharge were also explored.
- Fischer, Dennis,Klap?tke, Thomas M.,Stierstorfer, J?rg
-
-
Read Online
- Potassium 1,1′-dinitramino-5,5′-bistetrazolate: A primary explosive with fast detonation and high initiation power
-
Adequate primary explosives such as lead azide mostly contain toxic ingredients, which have to be replaced. A new candidate that shows high potential, potassium 1,1′-dinitramino-5,5′-bistetrazolate (K 2DNABT), was synthesized by a sophisticated synthetic procedure based on dimethylcarbonate and glyoxal. It was intensively characterized for its chemical (X-ray diffraction, EA, NMR and vibrational spectroscopy) and physico-chemical properties (sensitivity towards impact, friction, and electrostatic, DSC). The obtained primary explosive combines good thermal stability with the desired mechanical stability. Owing to its high heat of formation (326 kJ mol-1) and density (2.11 g cm-3), impressive values for its detonation velocity (8330 m s-1) and pressure (311 kbar) were computed. Its superior calculated performance output was successfully confirmed and demonstrated by different convenient energetic test methods.
- Fischer, Dennis,Klapoetke, Thomas M.,Stierstorfer, Joerg
-
-
Read Online
- Fluorescence and theoretical calculation of phenylhydrazone derivatives and fluorine boron complex: Synthesis and fluorescence characteristics
-
A sereis of phenylhydrazone-based derivatives and their corresponding BF2 complexes were synthesized efficiently by a three-step reaction. Photophysical performance was investigated in different organic solvents and in the solid state. Although these compounds exhibited feeble fluorescent intensity in solution-state, BF2 complexes showed weaker fluorescence in solid state compared to precursors 2, which were caused by slight geometry relaxation of upon photo excitation. Density Functional Theory calculations was carried out to confirm above inference.
- Tang, Ping,Lyu, Luping,Li, Yujin
-
-
- A METHOD FOR PRODUCING POTASSIUM 1,1 -DINITRAMINO-5,5-BISTETRAZOLATE AND EXPLOSIVE COMPOSITIONS COMPRISING SAID SALT
-
A method of producing K2DNABT wherein a biztetrazole intermediate is nitrated using a nitrating agent selected from the following: dinitronium disulphate; a mixture of nitric acid and sulfuric acid; a mixture of nitric acid and phosphorous pentoxide; and nitric acid with acetic anhydride.
- -
-
Paragraph 0051; 0065
(2020/06/16)
-
- Palladium-Catalyzed Oxidative C–H Alkoxycarbonylation of Arenes with Alkylcarbazates Directed by N-Heterocyclic Substituents
-
With alkyl carbazates as the green ester source, a novel palladium-catalyzed oxidative free radical carbonylative transformation of the C–H bond on aromatic rings to produce esters has been developed. Good yields of the corresponding products have been obtained with wide functional group tolerance and excellent regioselectivity. A variety of alkyl carbazates are found to be suitable reactants for the ortho-alkoxycarbonylation on the aromatic ring.
- Yogesh Kumar, Gujjenahalli Ramalingaiah,Begum, Noor Shahina
-
supporting information
p. 4698 - 4704
(2020/07/04)
-
- Phenylhydrazone fluorescent probe, preparation and applications thereof
-
The invention discloses a phenylhydrazone fluorescent probe, a preparation and applications thereof. According to the present invention, the fluorescence of the phenylhydrazone fluorescent probe can be enhanced in Al, Ba, Cu, Hg, Mg, Ag, Ni and Zn, can be even enhanced by more than 20 times in Mg and Ni, and is almost completely quenched in Fe, such thatthe results show that the complexed phenylhydrazone has good selectivity on iron metal ions, and can be used for the naked eye qualitative identification of iron ions.
- -
-
Paragraph 0039-0040
(2019/12/25)
-
- An efficient protocol for the production of pymetrozine via a new synthetic strategy
-
A practical four-step synthesis of pymetrozine is reported, starting from a green chemical dimethyl carbonate and using the key intermediate methyl (E)-1-(2-oxopropyl)-2-(pyridin-3-ylmethylene)hydrazine-1-carboxylate. The main advantages of the route include inexpensive starting materials, environmental friendliness, short synthetic route, easy-to-use synthetic method and acceptable overall yield. A scale-up experiment was carried out to provide pymetrozine with 99.84% purity in 53.2% total yield.
- Zhou, Qifan,Du, Fangyu,Shi, Yajie,Liu, Wenqiang,Liu, Dongdong,Chen, Guoliang
-
p. 434 - 438
(2018/09/12)
-
- Synthesis and biological activities of (E)-β-farnesene analogues containing 1,2,3-thiadiazole
-
In order to discover novel compounds with high-activity to control aphid, a series of novel (E)-β-farnesene analogues containing 1,2,3-thiadiazole were designed and synthesized, and their structures were confirmed by IR,1H NMR,13C NMR, and HRMS (ESI). The stability of representative compounds was studied by HPLC and1H NMR techniques. Repellent activity results indicated that compounds 8h and 8j displayed 60.3% and 62.0% repellent rates, respectively. The aphicidal bioassay results showed that most analogues exhibited considerable aphicidal activity against Myzus persicae. Especially, analogues 8l, 8s and 8t exhibited high activity with LC50values of 33.4?μg/mL, 50.2?μg/mL and 61.8?μg/mL, respectively, which were higher than the lead compound (E)-β-farnesene, but lower than commercial insecticide pymetrozine with a LC50of 7.1?μg/mL.
- Zhang, Jing-Peng,Qin, Yao-Guo,Dong, Ya-Wen,Song, Dun-Lun,Duan, Hong-Xia,Yang, Xin-Ling
-
supporting information
p. 372 - 376
(2017/01/25)
-
- Synthesis and biological evaluation of 4-methyl-1,2,3-thiadiazole-5-carboxaldehyde benzoyl hydrazone derivatives
-
To find new lead compounds with high biological activity, a series of novel 4-methyl-1,2,3-thiadiazole-5-carboxaldehyde benzoyl hydrazone derivatives were designed and synthesized. Their structures were confirmed by 1H NMR, 13C NMR, IR spectrum and elemental analysis. Preliminary bioassay indicated that the title compounds exhibited moderate to strong fungicidal activity against six fungi in vitro at 50?μg/mL. Moreover, some of the title compounds exhibited good curative activity against TMV in vivo at 500?μg/mL. The structure-activity relationship analysis of compounds against Valsa mali showed that compounds containing halogen at the para position on phenyl exhibited the best activity. Especially compound 8k showed broad spectrum fungicidal activities against Valsa mali, Botrytis cinerea, Pythium aphanidermatum, Rhizoctonia solani, Fusarium moniliforme and Alternaria solani with the EC50 values of 8.20, 24.42, 15.80, 40.53, 41.48, and 34.16?μg/mL, respectively.
- Zhang, Jing-Peng,Li, Xiang-Yang,Dong, Ya-Wen,Qin, Yao-Guo,Li, Xin-Lu,Song, Bao-An,Yang, Xin-Ling
-
supporting information
p. 1238 - 1242
(2017/06/19)
-
- A kind of naphthalimide derivatives, preparation method and application thereof
-
The invention discloses naphthalimide derivatives, a preparation method and applications thereof. The structure of the derivatives is represented by the formula (Y). In the formula (Y), the R represents a six-membered ring containing hetero-atoms, -NHCH2CH2OH, -NHCH2CH2N(CH3)2, or -NHCH2CH2CH2CH3, wherein the hetero-atoms are nitrogen atoms, oxygen atoms, or sulfur atoms, the six-membered ring containing hetero-atoms comprises at least one nitrogen atom, and the R is connected to the mother nucleus of a compound represented by the formula (T) through a nitrogen atom. The provided derivatives are prepared by grafting methyl carbazate to the active sites of naphthalimide. The derivatives can inhibit the growth of tumor cells from different tissues such as mammary glands, cervix, and the like, while normal human cells are barely influenced by the derivatives, and thus the derivatives have a wide prospect in preparation of drugs for inhibiting the growth of tumor cells.
- -
-
Paragraph 0027; 0032-0034
(2017/12/06)
-
- Alkylation of 1,2,4-triazole-3-thiols with haloalkanoic acid esters
-
Alkylation of 4,5-disubstituted 4H-1,2,4-triazole-3-thiols with methyl chloroformate and ethyl chloroacetate chemoselectively afforded the corresponding S-alkyl derivatives, whereas the alkylation of 5-benzyl-4-phenyl-4H-1,2,4-triazole-3-thiol with methyl 3-bromopropanoate gave an inseparable mixture of S- and N-alkylation products. Hydrazinolysis of S-(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl) methyl carbonothioate involved anomalous cleavage with formation of the initial 4,5-disubstituted 1,2,4-triazole and methyl hydrazinecarboxylate.
- Samvelyan,Ghochikyan,Grigoryan,Tamazyan,Aivazyan
-
p. 935 - 940
(2017/08/02)
-
- Gold-catalyzed three-component spirocyclization: A one-pot approach to functionalized pyrazolidines
-
An efficient, highly atom economic synthesis of hitherto unknown spirocyclic pyrazolidines in a one-pot process was developed. The gold-catalyzed three-component coupling of alkynols, hydrazines and aldehydes or ketones likely proceeds via cycloisomerization of the alkynol to an exocyclic enol ether and subsequent [3 + 2]-cycloaddition of an azomethine ylide. A library of 29 derivatives with a wide range of functional groups was synthesized in up to 97% yield. With this new method, every position in the final product can be substituted which renders the method ideal for applications in combinatorial or medicinal chemistry.
- Wagner, Bernd,Hiller, Wolf,Ohno, Hiroaki,Krause, Norbert
-
supporting information
p. 1579 - 1583
(2016/02/10)
-
- Synthesis and herbicidal activity of O,O-diethyl N-{4-Methyl-[1,2,3] thiadiazole-5-carbonyl}- 1-amino-1-substitutedbenzyl phosphonates
-
Target compounds 3 were synthesized by the condensation of O,O-diethyl α-amino substitutedbenzyl phosphonates 1 and 4-methyl-[1,2,3]thiadiazole- 5-carboxylic acid 2 in the presence of dicyclohexylcarbodiimide (DCC) as a dehydration reagent. Their structures were confirmed by spectroscopic data (IR, 1H NMR, 31P NMR, MS) and elemental analysis. The results of a preliminary bioassay (in vitro) indicated that some of the title compounds 3 possessed moderate to good herbicidal activities against dicotyledonous plants (Brassica campestris L) at the concentration of 100 mg/L, and most of these compounds exhibited higher herbicidal activities against dicotyledonous plants (Brassica campestris L) than monocotyledonous plants (Echinochloa crus-galli). Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. Copyright Taylor & Francis Group, LLC.
- Tang, Wu,Yu, Zhi-Hua,Shi, De-Qing
-
scheme or table
p. 2024 - 2029
(2010/12/19)
-
- Synthesis and biological activity evaluation of 1,2,3-thiadiazole derivatives as potential elicitors with highly systemic acquired resistance
-
Elicitors provide a broad spectrum of systemic acquired resistance by altering the physical and physiological status of the host plants and, therefore, are among the most successful directions in modern pesticide development for plant protection. To develop a novel elicitor with highly systemic acquired resistance, two series of thiazole- and oxadiazole-containing thiadiazole derivatives were rationally designed and synthesized according to the principle of combination of bioactive substructures in this work. Their structures were characterized by 1H nuclear magnetic resonance (NMR), infrared (IR), high-resolution mass spectrometry (HRMS), or elemental analysis. Their potential systemic acquired resistance as an elicitor was also evaluated; bioassay results indicated that, among the 23 compounds synthesized, three compounds, 10a, 10d, and 12b, displayed better systemic acquired resistance than the positive control, tiadinil, a commercialized 1,2,3-thiadiazolebased elicitor. In addition, three other compounds, 10f, 12c, and 12j, exhibited a certain degree of fungus growth inhibition In vitro or In vivo. Our results demonstrated that, in combination of bioactive substructures is an interesting exploration for novel pesticide development, thiazole-and oxadiazole-containing thiadiazole derivatives are potential elicitors with good systemic acquired resistance.
- Fan, Zhijin,Shi, Zugui,Zhang, Haike,Liu, Xiufeng,Bao, Lili,Ma, Lin,Zuo, Xiang,Zheng, Qinxiang,Mi, Na
-
experimental part
p. 4279 - 4286
(2010/06/16)
-
- Green synthetic method for 1,5-disubstituted carbohydrazones
-
A green synthetic method for 1,5-disubstituted carbohydrazones is described. The reaction of dimethyl carbonate with hydrazine hydrate first gave carbohydrazide, which further reacted with various aromatic aldehydes or aliphatic ketones under solvent-free conditions to efficiently afford 1,5-disubstituted carbohydrazone. This protocol has the advantages of using nontoxic dimethyl carbonate as starting material, no use of organic solvents, short reaction time, high yield, and simple workup procedure. Copyright Taylor & Francis Group, LLC.
- Li, Zheng,Zhu, Wei,Yu, Jinlan,Ma, Xuelin,Lu, Zhong,Xiao, Shuxiu
-
p. 2613 - 2619
(2007/10/03)
-
- Keto-1,3,4-oxadiazoles as cathepsin K inhibitors
-
We have prepared a series of cathepsin K inhibitors bearing the keto-1,3,4-oxadiazole warhead capable of forming a hemithioketal complex with the target enzyme. By modifying binding moieties at the P1, P2, and prime side positions of the inhibitors, we have achieved selectivity over cathepsins B, L, and S, and have achieved sub-nanomolar potency against cathepsin K. This series thus represents a promising chemotype that could be used in diseases implicated by imbalances in cathepsin K activity such as osteoporosis.
- Palmer, James T.,Hirschbein, Bernard L.,Cheung, Harry,McCarter, John,Janc, James W.,Yu, Z. Walter,Wesolowski, Gregg
-
p. 2909 - 2914
(2008/09/21)
-
- 4-unsubstituted dihydroisoquinolinone derivatives and combinatorial libraries thereof
-
The present invention relates to novel dihydroisoquinolinone (DHQ) derivative compounds of the following formula: wherein R1to R7, X, Y, Z, b, c and d have the meanings provided herein. The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing DHQ derivative compounds.
- -
-
-
- ORGANOSELENIUM COMPOUNDS. IV. METHYL (ARYLSELENO)FORMATES, SYNTHESIS AND PROPERTIES
-
The synthesis of methyl (arylseleno)formates, based on the reaction of (arylseleno)magnesium bromides with methyl chloroformate, is described.Some characteristics of the methyl (arylseleno)formates are given.
- Lapkin, I. I.,Dedugov, A. N.,Pavlova, N. N.
-
p. 309 - 311
(2007/10/02)
-