4,5-Dihydroxyimidazolidin-2-ones in the reaction of α-ureidoalkylation of N-(carboxyalkyl)-, N-(hydroxyalkyl)-, and N-(aminoalkyl)ureas

Russian Chemical Bulletin - It was found for the first time that the reaction of N-(carboxyalkyl)ureas (ureido acids) with 4,5-dihydroxy-1,3-dimethyl-4,5-diphenylimidazolidin-2-one in methyl or...     

Tert-butyl N-(2-bromocyclohex-2-enyl)-N-(2-furylmethyl)carbamate的结构和振动光谱

The molecular structure, conformafional stability, and vibrational frequencies of ten-butyl N-（2- bromocyclohex-2-enyl）-N-（2-furylmethyl）carbamate （TBBFC） were investigated by utilizing the Hartree-Fock （HF） and density functional theory （DFT） ab initio calculations with 6-31G ^＊ and 6-31G^＊ ＊ basis sets. The optimized bond length and angle values obtained by HF method showed the best agreement with the experimental values. Comparison of the observed and calculated fundamental vibrational frequencies indicated that B3LYP was superior to the scaled HF approach for molecular problems. Optimal uniform scaling factors calculated for the title compound are 0.899/0.904, 0.958/0.961, and 0.988/0.989 for HF, B3LYP, and BLYP （6-31G ^＊/6-31G ^＊ ＊）, respectively.     

N-苯基吩噻嗪和N-(2-吡啶基)吩噻嗪光物理过程的研究

通过测定N-苯基吩噻嗪(PHZ),N-(α-吡啶基)吩噻嗪(PYZ)荧光发射光谱和荧光寿命的溶剂效应及温度效应,证明了在PYZ发射光谱中表现出很强的分子内扭曲引起的电荷转移态(TICT),还研究了PHZ,PYZ和对苯二甲酸二甲酯所形成的激基复合物,并通过闪光光解观察到了在极性溶剂中由激基复合物解离而形成的正、负离子的瞬态吸收光谱。     

Synthesis of n-(phenoxathiin-2-carbonyl)-or N-(thianthrene-2-carbonyl)-N′-arylthioureas

The reactions of phenoxathiin-2-carbonyl-or thianthrene-2-carbonyl-isothiocyanates with certain primary amines lead to the formation of corresponding N-substituted-N-hetaroylthiocarbamides. The aforementioned isothiocyanates were obtained in situ by reactions of phenoxathiin-2-or thianthrene-2-carbonyl chlorides with KSCN. The new compounds were characterized by elemental analysis and spectral data (IR,¹H and¹³C NMR).Analytical Laboratory-Biofarm, 99 Logofat Tautu Street, Bucharest, Roumania. Faculty of Pharmacy, Organic Chemistry Departament, University of Medicine and Pharmacy Carol Davila, 6 Traian Vuia Street, Bucharest, Roumania, Faculty of Chemistry, Organic Chemistry Department, University of Bucharest, 90–92 Panduri Road, 76233, RoumaniaPublished in Khimiya Geterotsiklicheskikh Soedinenii, No. 12, pp. 1681–1686, December, 1999.     

One-Pot Synthesis Op N-Alkyl (Aryl) N-(α-Alkoxybenzyl) and N-(α-Alkoxymethylene) Carboxamides

A convenient synthesis of N-alkyl (aryl) N-(α-alkoxybenzyl) and N-(α-alkoxymethylene) carboxamides has been developed, starting from the corresponding amines, aldehydes, carboxylic acids, ortho esters and thionyl chloride.     

铑(Ⅲ)催化N-磺酰基2-甲酰苯胺与烯烃环化制备(2H)喹啉(英文)

开发了一种用铑(III)催化的N-磺酰基2-氨基苯甲醛与烯烃环化生成喹啉衍生物的方法,得到较高产率的喹啉衍生物,并且在反应条件下,反应具有较好的官能团兼容性.这是首次运用铑(III)作为催化剂合成烷基1-磺酰基-1,2-二氢喹啉-3-羧酸酯.该催化体系表现较好的催化性且反应操作较为简单.     

铑(Ⅲ)催化N-磺酰基2-甲酰苯胺与烯烃环化制备(2H)喹啉(英文)

开发了一种用铑(III)催化的N-磺酰基2-氨基苯甲醛与烯烃环化生成喹啉衍生物的方法,得到较高产率的喹啉衍生物,并且在反应条件下,反应具有较好的官能团兼容性.这是首次运用铑(III)作为催化剂合成烷基1-磺酰基-1,2-二氢喹啉-3-羧酸酯.该催化体系表现较好的催化性且反应操作较为简单.     

水溶性N-(2-羧基苯甲酰基)化壳聚糖的合成

壳聚糖(β-(1,4)-2-氨基-2-脱氧-D-葡聚糖)是甲壳素脱乙酰化反应生成的一种线性聚合物,无毒、可生物降解、并有良好的成膜性和生物相容性,近年来已在水处理、医药、食品、化妆品、农业等领域显示了其独特的应用价值。但是,因分子内和分子间氢键的作用,壳聚糖只能溶于酸和酸     

N-(2-吡咯甲酰基)氨基酸甲酯的合成

在室温条件下,氨基酸甲酯和2-三氯乙酰基吡咯经酰基化反应,以80.3%～95.6%的产率合成了系列N-(2-吡咯甲酰基)氨基酸甲酯,通过1H NMR,IR,MS和元素分析对其结构进行了表征.     

(ArO)2Sm(THF)4催化N-苯基马来酰亚胺聚合

发现二价稀土配合物二 ( 2 ,6 二叔丁基 4 甲基苯氧基 )钐 [(ArO) 2 Sm (THF) 4]能较好地引发N 苯基马来酰亚胺 (N PMI)的聚合 ,溶剂对聚合的影响较大 ,在四氢呋喃中聚合转化率最高 ,且聚合转化率随单体浓度的提高而提高 ,而温度对聚合的影响不大。     

Iodide-selective polymeric membrane electrode based on copper(Ⅱ) bis(N-2-bromophenylsalicyldenaminato) complex

A PVC membrane electrode based on copper（Ⅱ） bis（N-2-bromophenylsalicyldenaminato） as ionophor was prepared.The ion selective electrode was tested by inorganic anions and showed a good selectivity for iodide ion.This sensor exhibited Nernstian behavior with a slope of—57.8 mV per decade at 25℃.The proposed electrode showed a linear range from 1.0×10⁵ to 1.0×10^-1 mol/L with a detection limit of 5.0×10^-6 mol/L.The electrode response was independent of pH in the range of 3.0- 10.0.The proposed sensor was applied to determine the iodide in water and antiseptic samples.     

S-(N-(Thiocarbamoyl)benzimido)-dithiocarbamidsäureester

Zusammenfassung Die Synthese der Titelverbindungen3 (R ¹=R ²=C₂H₅;n-C₄H₉) durch Reaktionen von N-(N,N-Diethylthiocarbamoyl)-benzimidoylchlorid (2) mit Natriumdialkyldithiocarbamaten (1) in Aceton wird beschrieben. Die niedrigen Ausbeuten (bis 25% d.Th.) sind durch Nebenreaktionen bedingt. Die Strukturen der Verbindungen werden durch IR-,¹H-NMR-,¹³C-NMR-und Massenspektren bestätigt. Nebenreaktionen werden¹³C-NMR-spektroskopisch verfolgt und die Ergebnisse diskutiert.

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S-(N-(thiocarbamoyl)benzimido)dithiocarbamic esters

Summary The synthesis of the title compounds3 (R ¹=R ²=C₂H₅;n-C₄H₉) by reactions of N-(N,N-diethylthiocarbamoyl)benzimidechloride (2) with sodiumdialkyldithiocarbamates (1) in acetone is described. The low yields (<25%) are caused by the occurrence of side reactions. The structures of the compounds were confirmed by IR,¹H and¹³C NMR, and mass spectroscopy. Side reactions were detected by¹³C NMR spectroscopy; the results are discussed.

     

N,N-二乙基氨荒酸铋化合物(Et2NCS2)2(NO3)Bi(NO3)-Bi(S2CNEt2)2(HOCH3)的合成及晶体结构

利用硝酸铋和N,N-二乙基氨荒酸盐反应,合成了新型铋的N,N-二乙基氨荒酸衍生物(Et2NCS2)2(NO3)Bi(NO3)Bi-(S2CNEt2)2(HOCH3).通过元素分析和红外光谱对其结构进行了表征.用X射线单晶衍射测定了该化合物的分子和晶体结构.结果表明,化合物的晶体为三斜晶系空间群P1,晶胞参数:a=0.9880(3)nm,b=1.2778(3)nm,c=3.1993(9)nm,α=89.888(4)°,β=85.728(4)°,γ=89.824(4)°,Z=4,V=4.0277(19)nm3,Dc=1.925 g/m3,μ=9.183 mm-1,F(000)=2248,R1=0.0525,wR2=0.0546.该化合物中存在2个不同的铋原子,它们分别为配位数7和8的畸变五角双锥和十二面体构型.在晶体中,通过相邻分子间的S…S弱相互作用和氢键作用,形成了一维链状结构.     

几种N-2(2-吡啶)乙基苯胺衍生物的结构测定

为了制备适当催化剂使甲醇羰基化为醋酸,我们合成了六个具有两个不同络合能力的基团的新络合剂,用~1H—。~(18)C—NMR等方法测定其结构。实验部分 N—2—(2—吡啶)乙基苯胺衍生物的制备:这些衍生物除Ⅰ外均为新的化合物,可从改进的已知方法制备。以对甲苯胺衍生物的制备方法为例详述如下:     

X-RAY STRUCTURE AND MOLECULAR MECHANICS CALCULA-TIONS OF N-(2-CHLOROPHENYL)-2-PYRIDINECAR-BOTHIOAMIDE

<正> C12H9N2SCl, Mr= 248. 74, monoclinic, P21/n, a = 3. 902(2), b = 11.547(1), c = 25. 132(4)(?), β =93. 71(2)°, V = 1131. 1(?)3, Z = 4, Dc = 1.461, Do= 1. 45gcm-3, λ(MoKα) = 0, 71073A, μ = 4.84cm-1, F(000) = 512, R = 0. 041 for 1755 unique observed reflections. In comparison of the title molecular structure with that of N-(2-methylphenyl)-2-Pyridinecarbothipamide, the difference is insignificant. Intramolecular hydrogen bonds and short contacts are formed to the utmost extent, and the intermolecular hydrogen bonds such as C - H… S and C-H…Cl play an important role in the molecular packing. Molecular mechanics calculations (MMPM) is informative on the feature of the molecular conformation observed.     

N-(η5-Cyclopentadienylvanadium)benzenesulfonamide

N-(⁵-Cyclopentadienylvanadium)benzenesulfonamide has been synthesized for the first time by treating benzenesulfonamide orN-(tributylstannyl)benzenesulfonamide with vanadocene.Deceased.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2107–2109, December, 1993.     

STUDY ON THE STRUCTURES OF COORDINATION COMPOUNDS OF N-(ortho-METHYL)-AND N-(ortho-METHOXY)-PHENYL IMINODIACETATO-Cu(Ⅱ)

The coordination compounds,{Cu[CH_3C_6H_4N(CH_2COO)_2]}.2H_2O and{Cu[CH_3OC_6H_4N(CH_2COO)_2]}.2H_2O,have been prepared and its crystal struc-tures determined.The final discrepancy factors are R=0.052,R_w=0.061 for(I)and R=0.052,R_w=0.039 for(Ⅱ).The geometry of the coordination poly-hedron with Cu(Ⅱ)is a distorted tetragonal pyramid for(Ⅰ)and an unsym-metrical and extended tetragonal bipyramid for(Ⅱ),respectively.The re-sults of EHMO calculations indicate that the ligand mainly provided thefield with very few of its electrons being coordinated to the central atom.     

Synthesis and Magnetic Properties of Fe(II) and Nd(III) Complexes of Poly(N-2-thiazolylacrylamide)

In recent years,the organic ferromagnets have drawn growing attention due to their characteristics of structural diversities,low density,and readily processing1-3.Design and synthesis of magnetic polymers are one of great challenges in today′s magnetic material research,and some significant achievements have been made in this field4,5.In this article,we describe the synthesis of acrylamide-type polymer with pendent thiazolyl groups(Scheme1).The as-prepared polymer exhibited better solubility …     

Thermodynamic Approach of Uranium(VI) Extraction by N,N-(2–ethylhexyl)Isobutyramide

The study of extraction of U(VI) from LiNO3 media by N,N-(2-ethylhexyl)isobutyramide (DEHiBA) in dodecane has been performed at 25.00 °C using isothermal titration microcalorimetry. The raw heat measured is a sum of contributions. To obtain the net extraction enthalpy variation, different heats have to be evaluated as the dilution of amide into dodecane phase which has been measured and subtracted. The microcalorimetric extraction results are then compared to data obtained by Van’t Hoff classical method. The extraction enthalpies obtained by both methods are similar. This first study allowed to define the experimental calorimetric conditions and will be followed by determination with other actinides and amides.