Isothiocyanato-N-

Cl7H2 3FeN7S2, Di-isothiocyanato-(N,N -(3,6-diazaocta-1,8-diyl)-2,6-di(iminoacetyl)-pyridineiron, 42B, 732 Cl7H2 BrMnN203, Bromotricarbonyl(N,N -dicyclohexylethylenediimine)-manganesed ), 43B, 1149... 

C2 3H31C0N4PS2, Bis(isothiocyanato)-N-((diphenylphosphino)ethyl)-N-methyl-N diethylethylenediaminecobalt(II), 39B, 659 C2 i H3 2Cl2N6NiOi 0 f N,N,N -Tris(2-(2 -pyridyl)ethyl)ethane 1, 2-diam-inenickel(II) perchlorate nitromethane, 41B, 960 C2 aH3 2CUN6O6, Dinitrato-(5,12-dimethyl-7,1 4-diphenyl-1,4,8,11-tetra-azatetradeca-4,11-diene)copper(II), 44B, 820 C2ftHuoBrCl2CoN608 H2O, (-)58s Bis[(1R,2R)-1,2-cyclohexanediamine]-(3,3 -dimethyl-2,2 -bipyridine)cobalt(III) bromide diperchlorate monohydrate, 45B, 1046... 

Cl5H26C0N7OS3, trans-Di-isothiocyanato-N-rac-(5,12-dimethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)cobalt(III) thiocyanate monohydrate, 42B, 836... 

Cs 1H4 5Cli,N3P2Pt, cis-Chlorobis( triphenylphosphine) - (1,3-di-p-tolyl-triazenido)platinum(II) chloroform solvate, 42B, 874 Cs1H4 5N3OP2RU, Hydrido(1,3-di-p-tolyltriazenido)bis(triphenylphos-phine)ruthenium(II) carbonyl, 42B, 874 Cs iHi, 9BF N2P2Pt, trans Hydrido(acetone phenylhydrazone)bis(triphen-ylphosphine)platinum(lI) tetrafluoroborate benzene, 43B, 1343 CsiH62AsBNnNiS, Isothiocyanato-(N,N-bis-(2-(diethylamino)ethyl)-2-(diphenylarsino)ethylamine-N,N,N)-nickel(II) tetraphenylborate,... 

C32H2sF120aP2Ptr 2-Bis(methyldiphenylphosphine)-4,4,6,6-tetrakis-(trifluoromethyl)- ,3,5,2-trioxaplatinan, 41B, 1193 C32H3oBr2MoO[Pg.632]

The N-oxide of l-pyrrolo[2,3-b]pyridine 936 is converted by the combination tri-methylsilylisothiocyanate Me3SiNCS 937/MeOCOCl to 21% 6-isothiocyanato-l-methoxycarbonyl-pyrrolo[2,3-b]pyridine 938 and 18% 6-chloro-l-methoxycarbonyl-pyrrolo[2,3-F]pyridine 939 [51] (Scheme 7.14). To avoid formation of the chloro compound 939 a reagent combination of MesSiNCS 937 with triethylamine or DBU, which lacks any competing chloride ion, might give much higher yields of... 

Rana, T.M., and Meares, C.F. (1990a) N-Terminal modification of immunoglobulin polypeptide chains tagged with isothiocyanato chelates. Bioconjugate Cbem. 1, 357-362. 

An interesting study with BATO compounds concerns the linkage isomerization of coordinated [NCS] in [Tc(NCS)(cdoh)2(cdo)(BMe)] (440). Both a red, N-bond isothiocyanato complex [Tc(NCS)(cdoh)2(cdo)(BMe)] and the brown, S-bond thiocyanato complex [Tc(SCN)(dmg)3(BR)] (441) were isolated from the direct synthesis from [Tc04] . The N-bound (440) was found to be thermodynamically more stable than the S-bound isomer (441) and the conversion was monitored elegantly by spectroscopic methods. The X-ray crystal structure of (440) was determined. The NCS and SCN -substituted analogues exhibited r c N stretch at 2,114-2,124 cm and at 2,055-2,079 cm , respectively. " (Scheme 59). 

The parent 4-oxo-2-thioxopyrimidines 305 (cis, n = 1, 2 trans, n = 2 R = H), 306 cis or trans), 307 and 308 diendo and diexo) were prepared analogously to pyrimidinediones by reacting the corresponding amino ester hydrochlorides with potassium thiocyanate (89MRC959), or from alicyclic ethyl 2-isothiocyanato-l-carboxylates, obtained by the reaction of amino esters and thiophosgene with ammonia (96UP2). 

Perfluoro(3-isothiocyanato-2-methyl-2-pentene) reacts with N-nucleophiles to produce a series of fluoroalkyl-substituted 6/f-l,3-thiazines <1997RJO720>. The acid-catalyzed cyclization of thioureas immobilized on Wang (X = O) or Rink resin (X = NH) provides a convenient route to a wide range of 2-amino-4/7-benzothiazine derivatives 212 (Scheme 23) <20000L3667>. The thioureas are obtained in four steps from 2-nitrocinnamic acids. A general synthesis of 2-alkylidene-4-imino-l,4-dihydrobenzo-l,3-thiazines 213-215 involves treatment of 2-isothiocyanato-benzonitrile with acidic methylene compounds under basic conditions <2003SL1503>. The ( )-isomers are the predominant isomers formed. 

The course of this reaction could be explained by nucleophilic attack of the isothiocyanato group on C-5 (hard site) of enamine 61, with the formation of 199 by way of intermediate 198. However, this occurs only in N,N-dimethylformamide or acetonitrile solution. The formation of the additional products 2-glycosyliminothiazolo[4,5-d]pyrimidine-4,6-dione (201) by way of intermediate 200, by attack of the isothiocyanato group on the 6-amino group (soft site), was observed when the reaction was performed in oxolane solution. On the other hand, treatment of isothiocyanates 2, 30,... 

The reductive decomposition of thiocyanato complexes should be applicable to the electrodeposition of other metal sulfides. We have tried this with Pd2, Co2+, Ni2+, Zn2+ and In3+.I8 While thin films of PdS, CoS and NiS could be successfully electrodeposited, other metal sulfides such as ZnS and In2S3 could not be obtained. This is an interesting series of results when we think of the softness (hardness) of these metals as acid. TC coordinates with its sof basic S atom to soft acidic Cd2+ and Pd2+, while hard acidic In3+ only permits coordination with hard basic N atom to form an isothiocyanato-complex. Other metals are at the borderline accepting coordination of both S and N. Because reduction of TC is catalyzed by a central metal,75,76) such ligand reduction may result in the formation of metal sulfides only for thiocyanato-complexes. The difference in bahavior among Co2+, Ni2+ and Zn2+ could be reasoned as the consequence of efficient catalysis of the electron transfer reaction by the transition metals. Such trends fit nicely with the previous findings by electrochemical analyses. 7) It is therefore understood that the chemical structure of the active species is decisive to the film formation. Thus, designing such molecular precursors which are chemically stable but can be electrochemically decomposed to metal sulfides should broaden the possibilities of electrochemical thin film synthesis. 

AMI and PM3 computation on 1-methyl-191, 1-fluoro-180, 1-chloro-192 and 1-isothiocyanatosilatranes68 using full geometry optimization confirmed the small energy cost for a shortening of the SN— N bond in silatranes. The potential profiles of these molecules were shown to be very flat in the 2.00-3.60 A range of the Si — N distance, with two distinct minima related to the endo and exo forms. Both parametrizations found the endo structure to be the more stable in the case of 1-isothiocyanato- and 1-halosilatranes, where the equilibrium Si —N distances are shorter than in 1-methylsilatrane. Both... 

Lavelle, L., Nassimbeni, L. R., Niven, M. L., Taylor, M. W., Studies in Werner Clathrates. 2. Structure and thermal-analysis of bis(isothiocyanato)tetrakis(4-phenylpyridine)nickel(n) benzene clathrate (1-4). Acta Crystallogr. Sect. C-Cryst. Struct. Commun. 1989, 45, 591-595. 

B-Cyano-, B-isocyanato- and B-isothiocyanato-borazines are preferably prepared by reacting the B-chloroborazines with silver cyanide 128>, cyanate, or thiocyanate 22,72,120). Also, B-azidoborazines have been obtained recently. The isolation of [HNBN]3 has been claimed in a patent 130>. This work could not be reproduced due to the explosiveness of the compound 27 123>. However, several N-organosubstituted-B-azido-borazines have been made by reaction of symmetrical and unsymmetrical B-chloroborazines with NaN3 in acetonitrile 22,123). N-Organo-B-azido-borazines can be distilled in high vacuum if suitable precautions are taken 22>. 

Recent infrared absorption and x-ray diffraction studies have shown that metals of the first transition series normally form M—N bonds with the thiocyanate group.12-14 X-ray diffraction studies have shown that the isothiocyanato groups are trans to each other in the tetrapyridine complexes of iron, cobalt, and nickel 14-17 this configuration has been confirmed for the iron compound by electronic spectra.4... 

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