Tag: M.W=100-150

Mohraz, Manijeh; Maier, John Paul; Heilbronner, Edgar; Bieri, Gerhard; Shiley, Richard H. published the artcile< Helium(He Iα) and helium(He IIα) photoelectron spectra of fluorinated chloro- and bromobenzenes>, Product Details of C6H3ClF2, the main research area is UV photoemission fluorinated chlorobenzene bromobenzene; benzene halo UV photoemission.

The title spectra are presented for >50 compounds The accuracy of the ionization energies is ±0.02 eV if 2 decimal places are given, ±0.05 eV if the 2nd decimal is given as a subscript, and ±0.1 eV otherwise. Both He(Iα) and He(IIα) photoelectron spectra are presented, to show the dependence of the band intensities on photon energy, which has been used to support the assignments. The majority of the ionization energies given refer to the position Imj of the band maximum, with the exception of those which correspond to the onset of the 1st band and are thus greater than or equal to the true adiabatic ionization energy I1a of this band. The assignments proposed are based on correlation of the data. To aid the assignment, STO-3G ab initio calculations were carried out for a representative set of compounds

Journal of Electron Spectroscopy and Related Phenomena published new progress about UV photoemission. 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Product Details of C6H3ClF2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Carney, Daniel W.; Lukesh, John C. III; Brody, Daniel M.; Brutsch, Manuela M.; Boger, Dale L. published the artcile< Ultrapotent vinblastines in which added molecular complexity further disrupts the target tubulin dimer-dimer interface>, Application of C4H3NO3, the main research area is ultrapotent vinblastine derivative preparation tubulin binding cancer; chemical synthesis; drug design; protein–protein interaction; tubulin; vinblastine.

Approaches to improving the biol. properties of natural products typically strive to modify their structures to identify the essential pharmacophore, or make functional group changes to improve biol. target affinity or functional activity, change phys. properties, enhance stability, or introduce conformational constraints. Aside from accessible semisynthetic modifications of existing functional groups, rarely does one consider using chem. synthesis to add mol. complexity to the natural product. In part, this may be attributed to the added challenge intrinsic in the synthesis of an even more complex compound Herein, we report synthetically derived, structurally more complex vinblastines inaccessible from the natural product itself that are a stunning 100-fold more active (IC50 values, 50-75 pM vs. 7 nM; HCT116), and that are now accessible because of advances in the total synthesis of the natural product. The newly discovered ultrapotent vinblastines, which may look highly unusual upon first inspection, bind tubulin with much higher affinity and likely further disrupt the tubulin head-to-tail α/β dimer-dimer interaction by virtue of the strategic placement of an added conformationally well-defined, rigid, and extended C20′ urea along the adjacent continuing protein-protein interface. In this case, the added mol. complexity was used to markedly enhance target binding and functional biol. activity (100-fold), and likely represents a general approach to improving the properties of other natural products targeting a protein-protein interaction.

Proceedings of the National Academy of Sciences of the United States of America published new progress about Colorectal carcinoma. 672948-03-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H3NO3, Application of C4H3NO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ha, Hyeonbin; Kim, Youngik; Kim, Dopil; Lee, Jihyun; Song, Yoodae; Kim, Suyeon; Park, Myung Hwan; Kim, Youngjo; Kim, Hyungjun; Yoon, Minyoung; Kim, Min published the artcile< Effect of the Metal within Regioisomeric Paddle-Wheel-Type Metal-Organic Frameworks>, Product Details of C4H4ClNO2, the main research area is transition metal DABCO terephthalate preparation gas adsorption calculated structure; crystal structure zinc cobalt amino chloro regioisomeric benzenedicarboxylate MOF; coordination polymers; flexibility; metal cation effect; metal-organic frameworks; regioselectivity.

The effect of metal on the degree of flexibility upon evacuation of metal-organic frameworks (MOFs) was revealed with positional control of the organic functionalities. Although Co-, Cu-, and Zn-based DMOFs (DMOF = DABCO MOF, DABCO = 1,4-diazabicyclo[2.2.2]octane) with terephthalate containing ortho-ligands (2,3-NH2Cl) have frameworks that are inflexible upon evacuation, MOFs with para-ligands (2,5-NH2Cl) showed different N2 uptake amounts after evacuation by metal exchange. Considering that the structural analyses were not fully sufficiently different to explain the drastic changes in N2 adsorption after evacuation, quantum chem. simulation was explored. A new index (η) was defined to quantify the regularity around the metal based on differences in the O-metal-O angles. Within 2,5-NH2Cl, the η value becomes larger as the metal are varied from Co to Zn. A large η value means that the structures around the metal center are less ordered. These results can be used to explain flexibility changes upon evacuation by altering the metal cation in this regioisomeric system.

Chemistry – A European Journal published new progress about Crystal structure. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Product Details of C4H4ClNO2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

He, Piao; Liu, Jiahao; Wu, Jinting; Mei, Haozheng; Zhang, Jianguo published the artcile< Dimethoxycarbonyl Groups Surrounding a Symmetric Diaminobistetrazole Ring: Exploring New Green Energetic Materials>, Computed Properties of 128-09-6, the main research area is energetic material methoxycarbonyl aminobistetrazole synthesis; sodium methoxycarbonyl aminobistetrazolate energetic material synthesis; DFT calculations; detonation performance; dimethoxycarbonyl diaminobistetrazole; energetic materials.

A novel oxygen-containing dimethoxycarbonyl diaminobistetrazole was synthesized via a facile strategy. The sodium salt based on this ligand was prepared and these two compounds were fully characterized by using elemental anal., IR and mass spectrometry and single-crystal X-ray diffraction. Their d., heats of formation, thermal stability, sensitivity, and the energetic properties are investigated by EXPLO5 code. These newly synthesized compounds possess high pos. heats of formation and detonation heats. the dimethoxycarbonyl diaminobistetrazole exhibits good detonation performance and acceptable stability, and might be a potential eco-friendly alternative of lead azide. The present study contributes to the development of tetrazole derivatives as new energetic materials.

Chemistry – An Asian Journal published new progress about Detonation enthalpy. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Computed Properties of 128-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Leroux, Frederic R.; Bonnafoux, Laurence; Heiss, Christophe; Colobert, Francoise; Lanfranchi, Don Antoine published the artcile< A practical transition metal-free aryl-aryl coupling method: arynes as key intermediates>, HPLC of Formula: 1435-43-4, the main research area is dihalobenzene organolithium lithiation; haloaryl lithium preparation elimination; aryne preparation nucleophilic addition haloaryl lithium; halobiaryl preparation metal halogen exchange dicyclohexylchlorophosphorous; biaryl phosphine ligand preparation; aryl coupling reaction.

Upon treatment of various aryllithium intermediates with 1,2-dibromobenzene or 1-bromo-2-iodobenzene, dissym. ortho,ortho’-di-, tri- and even tetrasubstituted bromo- or iodobiaryls, e.g., I, become readily available. The crucial steps in all these reactions were the nucleophilic addition of the organolithium precursor to a transient aryne species released from it by β-elimination of a lithium halide and, stabilization of the resulting 2-biaryllithium intermediate by in situ transfer of bromine or iodine from the starting material. This straightforward transition metal-free access to biaryls allows the preparation of highly valuable halobiaryls on a gram scale in excellent yields. These precursors can be subsequently functionalized by highly regioselective halogen/metal permutations into a vast variety of target mols. This was demonstrated in the synthesis of several mono- and diphosphine ligands, e.g., II.

Advanced Synthesis & Catalysis published new progress about Alkynes, arynes Role: FMU (Formation, Unclassified), FORM (Formation, Nonpreparative). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, HPLC of Formula: 1435-43-4.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ruffoni, Alessandro; Julia, Fabio; Svejstrup, Thomas D.; McMillan, Alastair J.; Douglas, James J.; Leonori, Daniele published the artcile< Practical and regioselective amination of arenes using alkyl amines>, Category: chlorides-buliding-blocks, the main research area is aromatic amine photoredox synthesis regioselective amination arene alkylamine.

The formation of carbon-nitrogen bonds for the preparation of aromatic amines is among the top five reactions carried out globally for the production of high-value materials, ranging from from bulk chems. to pharmaceuticals and polymers. As a result of this ubiquity and diversity, methods for their preparation impact the full spectrum of chem. syntheses in academia and industry. In general, these mols. are assembled through the stepwise introduction of a reactivity handle in place of an aromatic C-H bond (i.e., a nitro group, halogen or boronic acid) and a subsequent functionalization or cross-coupling. Here we show that aromatic amines can be constructed by direct reaction of arenes and alkyl amines using photocatalysis, without the need for pre-functionalization. The process enables the easy preparation of advanced building blocks, tolerates a broad range of functionalities, and multigram scale can be achieved via a batch-to-flow protocol. The merit of this strategy as a late-stage functionalization platform has been demonstrated by the modification of several drugs, agrochems., peptides, chiral catalysts, polymers and organometallic complexes.

Nature Chemistry published new progress about Amination, regioselective (photochem.). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Boogaerts, Ine I. F.; Fortman, George C.; Furst, Marc R. L.; Cazin, Catherine S. J.; Nolan, Steven P. published the artcile< Carboxylation of N-H/C-H Bonds Using N-Heterocyclic Carbene Copper(I) Complexes>, Name: 2-Oxazolecarboxylic acid, the main research area is arene heteroarene regioselective carboxylation copper heterocyclic carbene complex; carboxylic acid aromatic carbamate preparation.

The N-heterocyclic carbene copper(I) complex [Cu(IPr)(OH)] [IPr = 1,3-bis(2,6-diisopropylphenyl)-2-imidazolylidene] was demonstrated to be a synthetically versatile catalyst to enable the regioselective carboxylation of N-H and C-H bonds of arenes and heteroarenes which were predicted to be suitably acidic by Bronsted/Lowry theory.

Angewandte Chemie, International Edition published new progress about Aromatic carboxylic acids Role: SPN (Synthetic Preparation), PREP (Preparation). 672948-03-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H3NO3, Name: 2-Oxazolecarboxylic acid.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ivanova, Yu. B.; Chizhova, N. V.; Mamardashvili, N. Zh. published the artcile< Synthesis and Spectral and Coordination Properties of Perhalogenated Tetraphenylporphyrins>, Quality Control of 128-09-6, the main research area is zinc perhalogenated tetraphenylporphyrin preparation complexation kinetics.

The reaction of [5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrinato]zinc(II) with N-halosuccinimides in chloroform-MeOH, chloroform-butan-1-ol, or DMF gave [2,3,7,8,12,13,17,18- octachloro(bromo)-5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrinato]zinc(II) which were treated with HO2CCF3 to obtain the corresponding free porphyrin ligands. The synthesized compounds and their dianions were studied by electronic absorption and 1H NMR spectroscopy and mass spectrometry. The kinetic parameters of the complexation of these ligands with Zn in the systems MeCN-Zn(OAc)2 and MeCN-Zn(OAc)2-1,8-diazabicyclo[5.4.0]undec-7-ene in the temperature range 298-318 K were determined

Russian Journal of General Chemistry published new progress about Complexation. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Quality Control of 128-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Cernicharo, J.; Cabezas, C.; Agundez, M.; Tercero, B.; Pardo, J. R.; Marcelino, N.; Gallego, J. D.; Tercero, F.; Lopez-Perez, J. A.; de Vicente, P. published the artcile< TMC-1, the starless core sulfur factory: discovery of NCS, HCCS, H2CCS, H2CCCS, and C4S and detection of C5S>, Category: chlorides-buliding-blocks, the main research area is chlorosuccinimide thioketene sulfur Taurus Mol cloud; Astrochemistry; ISM: individual (TMC-1); ISM: molecules; line: identification; molecular data.

We report the detection of the sulfur-bearing species NCS, HCCS, H2CCS, H2CCCS, and C4S for the first time in space. These mols. were found towards TMC-1 through the observation of several lines for each species. We also report the detection of C5S for the first time in a cold cloud through the observation of five lines in the 31-50 GHz range. The derived column densities are N(NCS) = (7.8 ± 0.6) x 1011 cm-2, N(HCCS) = (6.8 ± 0.6) x 1011 cm-2, N(H2CCS) = (7.8 ± 0.8) x 1011 cm-2, N(H2CCCS) = (3.7 ± 0.4) x 1011 cm-2, N(C4S) = (3.8 ± 0.4) x 1010 cm-2, and N(C5S) = (5.0 ± 1.0) x 1010 cm-2. The observed abundance ratio between C3S and C4S is 340, that is to say a factor of approx. one hundred larger than the corresponding value for CCS and C3S. The observational results are compared with a state-of-the-art chem. model, which is only partially successful in reproducing the observed abundances. These detections underline the need to improve chem. networks dealing with S-bearing species.

Astronomy & Astrophysics published new progress about Clouds (Taurus Mol.). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Dupuy, Stephanie; Nolan, Steven P. published the artcile< Gold(I)-Catalyzed Protodecarboxylation of (Hetero)Aromatic Carboxylic Acids>, Product Details of C4H3NO3, the main research area is heteroaromatic carboxylic acid decarboxylation gold catalyst protodeauration heterocyclic carbene; N-heterocyclic carbene; catalysis; decarboxylation; gold; protodeauration.

A general protocol for the gold-catalyzed protodecarboxylation of (hetero)aromatic carboxylic acids was developed. It was successfully applied to activated and deactivated benzoic acids and is compatible with a wide range of functionalities. Notably, the reaction requires relatively low catalyst loadings, and the isolation and purification of the reaction products are straightforward. This protocol is both practical and suitable for use in telescoped reaction sequences for which column chromatog. purification is undesirable (e.g., in directed C-H activation/protodecarboxylation/further characterization routes).

Chemistry – A European Journal published new progress about Aromatic carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 672948-03-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H3NO3, Product Details of C4H3NO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics