Synthesis and structure of N-(4,6-dimethylpyrimidin-2-yl)-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazide and 1-(4,6-dimethylpyrimidin-2-yl)-3-[(5-phenyl-2H-tetrazol-2-yl)methyl]-1H-pyrazol-5-ol

Russian Journal of Organic Chemistry - New tetrazolyl derivatives of pyrimidine were synthesized containing various linker groups. The structure of these compounds was established by NMR...     

Complexes of 4-methoxy-2-(5-methoxy-3-methyl-pyrazol-1-yl)-6-methylpyrimidine,an anti-inflammatory agent—I. Copper(II) perchlorate complexes

The preparation and properties of copper(II) complexes of 4-methoxy-2-(4-methoxy-3-methyl-pyrazol-1-yl)-6-methylpyrimidine, are reported. Complexes of     

水合5-(4-羟基苯酚)四氮唑的溶剂热合成及其晶体结构

以4-羟基苯氰为原料,用溶剂热法合成了水合5-(4-羟基苯酚)四氮唑晶体[(C7H6N4O)·1.5H2O,1],其结构经1H NMR,IR,元素分析及X-单晶衍射表征.1属单斜晶系,C2/c空间群,晶胞参数:a=1.487 2(3) nm,b=0.992 3(2) nm,c=1.304 8(2) nm,β=113.724(3)°,V=1.762 8(5) nm3,Dc=1.365 g*cm-3,F(000)=760,Z=8,μ(MoKα)=0.104 mm-1,R1=0.050 5,wR2=0.117 6.1中存在强烈的分子间氢键和π-π堆积作用.     

Studies on 3-Amino-4-(1H-tetrazol-5-yl)-furazan:Crystal Structure,Thermal Behavior and Energetic Performance

The structure of 4-amino-3-(5-tetrazolate)-fiirazan(HAFT) was characterized by single crystal X-ray diffraction. The thermal decomposition process of HAFT was investigated by MS-FTIR-DSC-TG coupling technique. The result shows that the exothermic process occurs from 278.7-350℃, with a peak temperature of 324.7℃. The thennal decomposition gaseous products of HAFT are NO2, CO2, HCN, CO, NH3 and H2O. The detonation velocity and detonation pressure of HAFT were calculated by the nitrogen equivalent equation. The detonation velocity of HAFT is 7727.46 m/s, which is higher than that of TNT(7178 m/s). The detonation pressure of HAFT(25.27 GPa) is satisfactory. The sensitivity tests reveal HAFT possesses excellent insensitivities to impact and friction.     

Crystal Structure of Methyl 3- (2-chlorophenyl )-3- (5, 5-dimethyl-3-hydroxy-2-cyclohexene- 1-one-2-yl) propionate

1INTRODUCTIONInorganicsolidsupportsascatalystshavebeenwellstudied,becauseoftheirap-plicationsinorganicsynthese('~".Recently,wehavereportedtheKnoevenagelcon-densationcatalysedbyKF-Al,O,['i.Inthispaper,wediscussedthecrystalstruc-tureofthetitlecomPoundsynthesizedbythereactionof2-chlorobenzaldehydey5,5-dimethyl-1,3-cyclohexanedioneandisopropylidenemalonateinmethanolcatalyzedbyKF-Alzo,'Inordertoconfirmthestructureofthetitlecompound,theX-raycrys-tallOgraphicstudywascarriedout.2EXPER1MEN…     

Synthesis of 6-(5-sulfanyl-1H-tetrazol-1-yl)-2H-chromen-2-one and 5-methyl-1-(2-oxo-2H-chromen-6-yl)-1H-1,2,3-triazole-4-carboxylic acid

Russian Journal of Organic Chemistry -     

Synthesis of Esters of 3-(2-Aminoethyl)-1H-indole-2-acetic Acid and 3-(2-aminoethyl)-1H-indole-2-malonic acid (= 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanedioic acid) 4th communication on indoles,indolenines, and indolines

Alkyl 3-(2-aminoethyl)-1H-indole-2-acetates 6a and 6b are synthesized starting from methyl 1H-indole-2-acetate (2) via methyl 3-(2-nitroethenyl)-1H-indole-2-acetate (4) and the alkyl 3-(2-nitroethyl)-1H-indole-2-acetates 5a and (Scheme 1). Analogously, diisopropyl 3-(2-aminoethyl)-1H-indole-2-malonate 20b is obtained from diisopropyl 1H-indole-2-malonate 11c (Scheme 4). An alternative synthesis of 20a and 20b follows a route via 15–18 and the dialkyl 3-(2-azidoethyl)-1H-indole-2-malonates 19a and 19b , respectively (Scheme 3). The aminoethyl compounds 6a and 20a are easily transformed into lactams 7 and 21 , respectively. Procedures for the preparation of the indoles 2 and 11a and of the alkylating agent 14 are described. A tautomer 12 of 11a is isolated.     

Development of a new synthesis of 3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone,sodium salt via an amidine intermediate

A new synthesis of the recently reported 3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone, sodium salt ( 1 , MDL-427), an experimental mediator release inhibitor, was developed from: (1) reaction of 5-aminotetrazole 3 and triethyl orthoformate 6 to give ethyl N-(1H-tetrazol-5-yl)formimidate 8 , (2) reaction of methyl anthranilate and imidate 8 to give amidine 11 , and (3) treatment of 11 with base to give 1 . Investigation of each of these steps independently led to a significantly more efficient, facile and higher-yielding 1-pot process. A brief examination of anthranilic acid 13 and its salts and derivatives 14 to 17 in this process found them to have dissimilar reactivities. The formation of amidine 11 as an isolable intermediate was unusual, as was its failure to cyclize under standard neutral or acidic conditions. The absolute requirement for base to effect cyclization of 11 appears to be unprecedented.     

An unexpected aminolysis in the synthesis of 5-substituted 3-(1H-tetrazol-5-yl)pyrazolo[1, 5-a]quinazolines

A synthetic route to 5-substituted 3-(1H-tetrazol-5-yl)pyrazolo[1, 5-a]quinazolines is described. An unexpected displacement of a 4-morpholinyl group from the 5-position of this system occurred during tetrazole formation by the ammonia produced by in situ generation of hydrazoic acid from ammonium chloride and sodium azide.     

Synthesis,Structure, and Anti-influenza Activity of 2-(Adamantan-1-yl)-5-aryl-1,3,4-oxadiazoles and 2-(Adamantan-1-yl)-5-aryltetrazoles

Two series of new adamantyl derivatives of polynitrogen heterocycles, 2-(adamantan-1-yl)-5-aryl- 1,3,4-oxadiazoles and 2-(adamantan-1-yl)-5-aryl-2H-tetrazoles, have been synthesized, and their structure has been determined by NMR spectroscopy, mass spectrometry, and X-ray analysis. Biological studies in vitro have revealed high inhibitory activity of some of the synthesized 2-(adamantan-1-yl)-5-aryl-2H-tetrazoles against H1N1 influenza A viruses in combination with a relatively low selectivity.     

Short Synthesis of 1-(3-tert-Butyl-1-phenyl-1H-pyrazol-5-yl)-3-(5-(2-morpholinoethoxy)-2H-chromen-8-yl) Urea Derivatives

A short and efficient synthesis of 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(5-(2-morpholinoethoxy)-2H-chromen-8-yl) urea derivatives (1a–c), a novel type of p38 MAPK inhibitors, is described. The Claisen thermal rearrangement of arylpropargyl ethers was employd as a key step to synthesize the chromene core. The solvent effect on the ratio of the resultant two isomers of Claisen thermal rearrangement, namely 2-methylbenzofuran and 2H-chromen, was also investigated.     

Synthesis and Crystal Structure of Methyl 3-（5- Bromo-1-ethyl-1H-indole-3-carbonyl）aminopropionate

Methyl 3-(5-bromo-1-ethyl-1H-indole-3-carbonyl)aminopropionate has been syn-thesized by the acylation of 5-bromo-3-trichloroacetylindole with β-alanine methyl ester,followed by alkylation with ethyl iodide,in 82.6% yield.Its crystal structure was gotten and determined by X-ray diffraction method.The crystal is of monoclinic,space group P2 1 /c with a=11.7927(8),b=14.9342(8),c=9.0060(5),β=101.558(6)°,V=1553.93(16)3,Z=4,D c=1.510 g/cm 3,λ=0.71073,μ(MoKα)=2.656 mm-1,M r=353.22 and F(000)=720.The structure was refined to R=0.0401 and wR=0.0825 for 1704 observed reflections with I > 2σ(I).In the crystal structure,intermolecular N(2)-H(2)···O(1) hydrogen bond and weak intermolecular bonds (C(1)-H(1) O(1) and C(10)-H(10B) O(2)) are formed,and π-π stacking also exists.