Tag: M.W=200-250

Wang, Ruihu published the artcileHeterocyclic-Based Nitrodicyanomethanide and Dinitrocyanomethanide Salts: A Family of New Energetic Ionic Liquids, Category: triazoles, the main research area is nitrodicyanomethanide dinitrocyanomethanide salt energetic ionic liquid crystallog.

Twelve novel energetic salts 1a-f and 2a-f with nitrodicyanomethanide and dinitrocyanomethanide anions paired with 1,5-diamino-4-methyltetrazolium, 1,4-dimethyl-5-aminotetrazolium 1,4,5-trimethyltetrazolium, 1-methyl-4-amino-1,2,4-triazolium, 1,4-dimethyltriazolium, and 1,3-dimethylimidazolium were prepared through metathesis reactions of equivalent silver(I) salts with corresponding iodide salts in acetonitrile. Key phys. properties, such as m.p., thermal stability and d., were measured. The relation between their structures and these properties was determined The structures of 1,5-diamino-4-methyltetrazolium-based salts 1a and 2a were further confirmed by single-crystal X-ray anal. The densities and standard enthalpies of formation for these energetic salts were calculated All of the salts possess higher enthalpies of formation than the nitrate analogs.

Inorganic Chemistry published new progress about Crystal structure. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Category: triazoles.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Belletire, John L. published the artcilePairing heterocyclic cations with closo-dodecafluorododecaborate (2-), Application of 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, the main research area is pairing heterocyclic cation closo dodecafluorododecaborate; dipotassium closo dodecafluorododecaborate reaction heterocyclium salt; crystal mol structure triazolium imidazolium pyrimidinium purinium closo dodecafluorododecaborate.

Eight binary salts that pair triazolium(1+), imidazolium(1+), pyrimidinium(1+), or purinium(1+) cations with the icosahedral closo-dodecafluorododecaborate(2-) anion (B12F12 2-) were synthesized using open-air benchtop metathesis reactions in water or acetonitrile. The scale of the reactions varied from just milligrams to nearly one gram of the K2B12F12 starting material. Other reaction conditions, the scope of the reaction, and the solubilities for the new salts are discussed. Five [heterocyclium]2[B12F12] salts, which were obtained in yields ranging from 84% to 99%, displayed significantly higher densities than the corresponding previously reported analogous [heterocyclium]2[B12H12] and [heterocyclium][CB11H12] salts. A ninth high-d. salt consisted of B12F12 2- paired with a complex Ag4(triazole)8 4+ cation. The structures of eight of the nine new compounds were determined by single-crystal x-ray diffraction anal. The d. of five [heterocyclium]2[B12F12] salts was found to increase approx. linearly as the distance between the five-membered-ring heterocyclium(1+) cation centroids decreased. This work demonstrates addnl. flexibility for the rational design of ionic structures with predictable properties, which will ultimately permit the tailoring of ingredient-response behavior.

Journal of Fluorine Chemistry published new progress about Crystal structure. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Application of 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Xue, Hong published the artcileEnergetic salts of substituted 1,2,4-triazolium and tetrazolium 3,5-dinitro-1,2,4-triazolates, HPLC of Formula: 39602-93-2, the main research area is energetic salt triazolium tetrazolium dinitrotriazolate.

Energetic salts comprised of substituted 1,2,4-triazolium and tetrazolium cations and 3,5-dinitro-1,2,4-triazolate anion were synthesized and characterized. The structure of 4,5-dimethyl-1-aminotetrazolium 3,5-dinitro-1,2,4-triazolate (16) was confirmed by X-ray anal. Based on exptl. obtained heats of combustion, these materials have calculated heats of formation ranging from ΔHf° = 118 (2) to 778 kJ mol-1 (10) with densities >1.5 g cm-3. Salts, 2, 4, 7, 9 and 10, fall into the ionic liquid class (mp < 100 °C). Journal of Materials Chemistry published new progress about Crystal structure. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, HPLC of Formula: 39602-93-2.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Wang, Kangcai published the artcileIodocuprate-containing ionic liquids as promoters for green propulsion, Product Details of C3H7IN4, the main research area is iodocuprate ionic liquid promoter propulsion boron containing fuel.

In this work, four novel iodocuprate-containing ionic liquids, CuILs are prepared and comprehensively characterized. In addition to their interesting mol. structures and phys. properties CuILs exhibited capability to efficiently promote hypergolic reactions between boron-containing [EMIM+][H3BCN-] and [MIM]·[BH3] fuels and a highly concentrated H2O2 (95%) oxidizer. The most promising promoter CuIL 3 has the decomposition temperature well above the decomposition temperature of the fuels, was stable in promoter-in-fuel mixtures for weeks and showed ignition delay times down to 14 ms. It is believed that further development of the new iodocuprate ionic liquids can lead to promising “”green”” H2O2-based bipropellant systems for space applications.

Journal of Materials Chemistry A: Materials for Energy and Sustainability published new progress about Crystal structure. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Product Details of C3H7IN4.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Engers, Darren W. published the artcileDiscovery and characterization of N-(1,3-dialkyl-1H-indazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine scaffold as mGlu4 positive allosteric modulators that mitigate CYP1A2 induction liability, Computed Properties of 108281-78-3, the main research area is preparation dialkylindazolyl pyrazolopyridin amine derivative Parkinson’s; CYP induction; Parkinson’s disease; Positive allosteric modulator; Structure-activity relationship; mGlu4 PAM.

Previous reports from our laboratory disclosed the structure and activity of a novel 1H-pyrazolo[4,3-b]pyridine-3-amine scaffold (VU8506) which showed excellent potency, selectivity and in vivo efficacy in preclin. rodent models of Parkinson’s disease. Unfortunately, this compound suffered from significant CYP1A2 induction as measured through upstream AhR activation (125-fold) and thus was precluded from further advancement in chronic studies. Herein, we report a new scaffold developed recently which was systematically studied in order to mitigate the CYP1A2 liabilities presented in the earlier scaffolds. We have identified a novel structure that maintains the potency and selectivity of other mGlu4 PAMs, leading to 9i (hmGlu4 EC50 = 43 nM; AhR activation = 2.3-fold).

Bioorganic & Medicinal Chemistry Letters published new progress about Antiparkinsonian agents. 108281-78-3 belongs to class triazoles, name is 6-Bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine, and the molecular formula is C7H6BrN3, Computed Properties of 108281-78-3.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Schneider, Stefan published the artcileIonic Liquids as Hypergolic Fuels, HPLC of Formula: 39602-93-2, the main research area is ionic liquid dicyanamide hypergolic liquid fuel propellant; imidazolium dicyanamide ionic liquid hypergolic liquid propellant.

Nitrogen-rich ionic liquid dicyanamide salts were evaluated as hypergolic liquid fuels with the intention of developing liquid propellants that are more environmentally friendly and safer to handle than hydrazine. The hypergolic salts were prepared by alkylation of methylimidazole to form a 1-substituted (“”R””)-3-methylimidazolium salt, (R = allyl-, 3-butenyl-, propargyl-, 2-butynyl-, and 2-pentynyl-), which was then converted to the dicyanamide (NC-N-CN-) salt by decomposition with silver dicyanamide. A triazolium analog (1-methyl-4-amino-1,2,4-triazolium) was also tested. Testing of hypergolicity was carried out in the presence of inhibited red fuming nitric acid (IRFNA) or white fuming nitric acid (WFNA). The key to hypergolicity in these ionic liquid systems is the diacyanamide anion.

Energy & Fuels published new progress about Alkylation (of methylimidazole). 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, HPLC of Formula: 39602-93-2.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

McCrary, Parker D. published the artcileNonaborane and Decaborane Cluster Anions Can Enhance the Ignition Delay in Hypergolic Ionic Liquids and Induce Hypergolicity in Molecular Solvents, Quality Control of 39602-93-2, the main research area is hypergolic ionic liquid ignition delay nonaborane cluster anion enhancement; decaborane cluster anion hypergolic ionic liquid ignition delay enhancement; mol solvent hypergolicity nonaborane decaborane cluster anion; propellant hypergolic ionic liquid ignition delay enhancement nonaborane decaborane.

The dissolution of nido-decaborane, B10H14, in ionic liquids that are hypergolic (fuels that spontaneously ignite upon contact with an appropriate oxidizer), 1-butyl-3-methylimidazolium dicyanamide, 1-methyl-4-amino-1,2,4-triazolium dicyanamide, and 1-allyl-3-methylimidazolium dicyanamide, led to the in situ generation of a nonaborane cluster anion, [B9H14]-, and reductions in ignition delays for the ionic liquids suggesting salts of borane anions could enhance hypergolic properties of ionic liquids To explore these results, four salts based on [B10H13]- and [B9H14]-, triethylammonium nido-decaborane, tetraethylammonium nido-decaborane, 1-ethyl-3-methylimidazolium arachno-nonaborane, and N-butyl-N-methyl-pyrrolidinium arachano-nonaborane were synthesized from nido-decaborane by reaction of triethylamine or tetraethylammonium hydroxide with nido-decaborane in the case of salts containing the decaborane anion or via metathesis reactions between sodium nonaborane (Na[B9H14]) and the corresponding organic chloride in the case of the salts containing the nonaborane anion. These borane cluster anion salts form stable solutions in some combustible polar aprotic solvents such as THF and Et acetate and trigger hypergolic reactivity of these solutions Solutions of these salts in polar protic solvents are not hypergolic.

Inorganic Chemistry published new progress about Clusters (nonaborane and decaborane). 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Quality Control of 39602-93-2.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Shackelford, Scott A. published the artcilePairing Heterocyclic Cations with closo-Icosahedral Borane and Carborane Anions. I. Benchtop Aqueous Synthesis of Binary Triazolium and Imidazolium Salts with Limited Water Solubility, Quality Control of 39602-93-2, the main research area is pairing triazolium imidazolium cation icosahedral borane carborane anion; crystal structure triazolium imidazolium icosahedral borane carborane salt; mol structure triazolium imidazolium icosahedral borane carborane salt.

Ten new salts that pair triazolium and imidazolium cations with closo-icosahedral anions [B12H12]2- and [CB11H12]- were synthesized in water solvent using an open-air, bench top method. These unreported [Heterocyclium]2[B12H12] and [Heterocyclium][CB11H12] salts extend reports of [Imidazolium][CB11H12] and [Pyridinium][CB11H12] salts that were synthesized in anhydrous organic solvents under an inert atm. with glove box or Schlenk techniques. Spectroscopic data, m.ps., and densities are reported for each salt. Single-crystal x-ray structures are provided for the five new [B12H12]2- salts.

Organic Letters published new progress about Anions (borane and carborane anions). 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Quality Control of 39602-93-2.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Shackelford, Scott A. published the artcilePairing heterocyclic cations with closo-icosahedral borane and carborane anions. I. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility. [Erratum to document cited in CA151:033689], Product Details of C3H7IN4, the main research area is erratum pairing triazolium imidazolium cation icosahedral borane carborane anion; crystal mol structure salt erratum.

On page 2623, the corresponding author e-mail address, “”[email protected]””, was incorrectly given, and should read: “”scottshack@roadrunner””. On page 2626, in Table 3, in row 11, in column 1, the designation X = H for the 1-ethyl-3-methylimidazolium carborane salt 11, was incorrectly given, and should read: “”X = CH3″”.

Organic Letters published new progress about Anions (borane and carborane anions). 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Product Details of C3H7IN4.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Huang, Yangen published the artcileHighly dense nitranilates-containing nitrogen-rich cations, Formula: C3H7IN4, the main research area is high density nitrogen heterocycle cation nitranilate explosive; detonation formation enthalpy nitranilate salt explosive.

High d. energetic salts containing nitrogen-rich cations and the nitranilic anion were readily synthesized in high yield by metathesis reactions of sodium nitranilate and an appropriate halide. All of the new compounds were fully characterized by elemental, spectral (IR, 1H, 13C NMR), and thermal (DSC) analyses. The structure of hydrazinium nitranilate was also determined by single-crystal X-ray anal. The high symmetry and oxygen content of the anion give these salts extensive hydrogen bonding capability which further results in the high densities, low water solubilities, and high thermal stabilities (Td >200°) of these compounds Theor. performance calculations were carried out by using Gaussian 03 and Cheetah 5.0. The calculated detonation pressures (P) for these new salts fall between 17.5 GPa and 31.7 GPa, and the detonation velocities (νD) range between 7022 m/s and 8638 m/s.

Chemistry – A European Journal published new progress about Crystal structure (of hydrazinium nitranilate). 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Formula: C3H7IN4.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics