Tag: M.W=250-300

Thurman, E. Michael published the artcileDiscovering metabolites of post-harvest fungicides in citrus with liquid chromatography/time-of-flight mass spectrometry and ion trap tandem mass spectrometry, Quality Control of 67747-01-7, the publication is Journal of Chromatography A (2005), 1082(1), 71-80, database is CAplus and MEDLINE.

In this study, we benefit from the combination of liquid chromatog. (LC)/time-of-flight (TOF) MS accurate mass measurements to generate elemental compositions of ions and LC/ion trap multiple MS (MSⁿ) providing complementary structural information, which is useful for the elucidation of unknown organic compounds at trace levels in complex food extracts We have applied this approach to investigate different citrus fruits extracts, and we have identified two post-harvest fungicides (imazalil and prochloraz), the main degradation product of imazalil ([M + H]⁺, m/z 257) and a non-previously reported prochloraz degradation product ([M + H]⁺, m/z 282). The database-mediated identification of the parent compounds was based on the generated elemental composition obtained from accurate mass measurements and addnl. qual. information from the high resolution chlorine isotopic clusters of both the protonated mols. (imazalil, [M + H]⁺ 297.0556, <0.1 ppm error, 2-Cl; prochloraz, [M + H]⁺ 376.0381, 1.9 ppm error, 3-Cl) and their characteristic fragments ions (imazalil: m/z 255 and 159; prochloraz: m/z 308 and 266). The correlation between the structural information provided by ion trap MS/MS fragmentation pathways of the parent species and the TOF accurate mass elemental composition data of the degradation products were the key to elucidate the structures of the degradation products of both post-harvest fungicides. Finally, where standards were not available (prochloraz), further confirmation was obtained by synthesizing the proposed degradation product by acid hydrolysis of the parent standard and confirmation by LC/TOF-MS.

Journal of Chromatography A published new progress about 67747-01-7. 67747-01-7 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Ether,Benzene Compounds, name is N-(2-(2,4,6-Trichlorophenoxy)ethyl)propan-1-amine, and the molecular formula is C5H13Cl2N, Quality Control of 67747-01-7.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wieting, Joshua M. published the artcilePreparation and catalytic activity of BINOL-derived silanediols, COA of Formula: C10H15ClO3S, the publication is European Journal of Organic Chemistry (2015), 2015(3), 525-533, database is CAplus.

Enantiopure silanediols I (2a–d; 2a, R¹ = R² = H; 2b, R¹ = R² = Ph; 2c, R¹ = H, R² = Ph; 2d, R¹ = Ph, R² = H) derived from BINOL are an innovative family of stereoselective hydrogen-bond donor (HBD) organocatalysts. Silanediols incorporated into a BINOL framework are attractive catalysts, as they are readily accessible and highly customizable. Structural modifications of the BINOL backbone affect the reactivity and selectivity of the silanediol catalysts in the additions of silyl ketene acetals to N-acyl isoquinolinium ions. The best results were obtained when the silanediol scaffold was substituted at the 4,4′- and 6,6′-positions. This report includes details regarding the properties of selected BINOL-based silanediol catalysts, including their acidities, binding constants, and x-ray crystal structures.

European Journal of Organic Chemistry published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C22H21N3O3S, COA of Formula: C10H15ClO3S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Pedersen, Stephan K. published the artcileSymmetric, Unsymmetrical, and Asymmetric [7]-, [10]-, and [13]Helicenes, Category: chlorides-buliding-blocks, the publication is Angewandte Chemie, International Edition (2019), 58(51), 18419-18423, database is CAplus and MEDLINE.

Fully aromatic helicenes with more than one pitch-length are illustrious synthetic targets with potential applications in advanced optical devices and nano-electronics. The task of extending the length of fully conjugated helicenes past one pitch length is challenging. Now, the synthesis of a series of azaoxa[7]-, [10]-, and [13]helicenes is described. The synthesis is based on iterative oxidative furan formation between 3,6-dihydroxycarbazoles and/or 2-naphthols [e.g., oxidative coupling of carbazole I to II followed by selective protection of least sterically hindered alcs. and furan formation mediated by oxidant and Lewis acid afforded diazaoxa[7]helicene III]. The flexibility of the presented method allows the convenient and scalable synthesis of sym., unsym., and asym. homo-chiral structures. The [13]helicenes can be synthetically functionalized both at the termini and the periphery. The full range of helicenes were characterized using NMR and optical spectroscopy (UV/Vis, fluorescence, and CD) along with single-crystal X-ray crystallog. The enantiomers of the [13]helicenes are the longest optically pure helicenes isolated to date.

Angewandte Chemie, International Edition published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Huang, Benhua published the artcileSol-gel preparation of helical silicate containing palladium oxide nanoparticles and the application for nitration of aromatic compound, Formula: C10H15ClO3S, the publication is Molecular Catalysis (2018), 140-151, database is CAplus.

Two palladium-containing silicates are prepared through sol-gel, and doping of L-sodium lactate plays a key role for giving helical morphol. The helical silicate is modified by chiral sulfonyl chloride in order to modulate coordination environment of palladium for enhanced catalysis. The porosity, composition, crystalline nature and bulk chirality have been studied too. All synthetic silicates show high yields for nitration of arenes by using available nitro-source. Both solvent acidity and oxidant seem crucial to nitration more than others. The conversion of larger arene is related to catalyst porosity, and modification of silicate with chiral sulfonyl chloride shows varied results. Furthermore, two catalysts exhibit renewable recycling behaviors, proving their interior palladium could be utilized. Lastly, a tetravalent palladium-facilitated mechanism is proposed. This work may contribute to the design and catalytic application of nanosized or microsized silica material with particular morphol.

Molecular Catalysis published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Formula: C10H15ClO3S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wei, Zhengxi published the artcileA direct peptide reactivity assay using a high-throughput mass spectrometry screening platform for detection of skin sensitizers, Quality Control of 7080-50-4, the publication is Toxicology Letters (2021), 67-77, database is CAplus and MEDLINE.

Chem.-peptide conjugation is the mol. initiating event in skin sensitization. The OECD test guideline uses a high-performance liquid chromatog./UV (HPLC/UV) detection method to quantify chem.-peptide conjugation in a direct peptide reactivity assay (DPRA), which measures the depletion of two synthetic peptides containing lysine or cysteine residues. To improve assay throughput, sensitivity and accuracy, an automated 384-well plate-based RapidFire solid-phase extraction (SPE) system coupled with tandem mass spectrometry (MS/MS) DPRA was developed and validated in the presence of a newly designed internal standard Compared to the HPLC/UV-based DPRA, the automated SPE-MS/MS-based DPRA improved throughput from 16 min to 10 s per sample, and substrate peptides usage was reduced from 100 mM to 5μM. When implementing the SPE-MS/MS-based DPRA into a high-throughput platform, we found 10 compounds that depleted lysine peptide and 24 compounds that depleted cysteine peptide (including 7 unreported chems. from 55 compounds we tested) in a concentration-response manner. The adduct formation between cysteine and cinnamic aldehyde and ethylene glycol dimethacrylate were further analyzed using high-performance liquid chromatog. time-of-flight mass spectrometry (HPLC-TOF-MS) to confirm the conjugation. Overall, the automated SPE-MS/MS-based platform is an efficient, economic, and accurate way to detect skin sensitizers.

Toxicology Letters published new progress about 7080-50-4. 7080-50-4 belongs to chlorides-buliding-blocks, auxiliary class Halogenation Reagent,Inhibitor, name is Sodium chloro(tosyl)amide trihydrate, and the molecular formula is C6H6N2O, Quality Control of 7080-50-4.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kleimenov, B. V. published the artcileMechanism of the action of organic substances containing a trichloromethyl group in reducing friction under high-load conditions, Related Products of chlorides-buliding-blocks, the publication is Teoriya Smazochnogo Deistviya i Novye Materialy (1965), 48-52, database is CAplus.

Acids containing the CCl₃ group have high antiwear properties. These properties decrease considerably after replacing the H of the acid by an aliphatic radical or a base. In the presence of HOAc, the critical load is 96 kg., while with Cl₃CCO₂H, it is ≤300 kg. When CCl₃P(O)(OBu)₂ is applied, the critical load is lower than if a simple acid is used. Heating of CCl₃P(O)(OBu)₂ at 160-80° results in elimination of the hydrocarbon radical with formation of butylene, CCl₃P(O)(OBu)OH, and CCl₃P(O)(OH)₂. Heating of CCl₃P(O)(OH)₂ to 325° gives HCl and CO. No free Cl is formed. Two varieties of interaction between the additive and the metal surface occur: chemisorptive saturation of free bonds of the surface atoms of the metal without destroying the crystal lattice linkage, or full chem. linkage of the reagent with the metal atoms which may destroy the crystal lattice linkage. Thus, 2 antagonistic actions occur: the formation of a chem. modified surface and its destruction. The decrease of wear and seizing is achieved by the acceleration of the chem. modification. The presence of the CCl₃ group polarizes the additive mol. and increases the viscosity of chemisorption onto the surface of the metal. At high temperature of the friction zone, the additive undergoes thermal decomposition and formation of (trichloromethyl)phosphonic acids. These acids interact with the metal to form salts and modify the metallic surface. The interaction is an ionic oxidation-reduction and can be represented by the equation Fe + 2H⁺ = Fe⁺⁺ + 2H. The addition of the CCl₃ group increases the H⁺ concentration in the friction zone, which is one of the main reasons for the antiwear properties of compounds containing the CCl₃ group.

Teoriya Smazochnogo Deistviya i Novye Materialy published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Munkuev, Aldar A. published the artcileAdamantane-Monoterpenoid Conjugates Linked via Heterocyclic Linkers Enhance the Cytotoxic Effect of Topotecan, Formula: C10H15ClO3S, the publication is Molecules (2022), 27(11), 3374, database is CAplus and MEDLINE.

Inhibiting tyrosyl-DNA phosphodiesterase 1 (TDP1) is a promising strategy for increasing the effectiveness of existing antitumor therapy since it can remove the DNA lesions caused by anticancer drugs, which form covalent complexes with topoisomerase 1 (TOP1). Here, new adamantane-monoterpene conjugates with a 1,2,4-triazole or 1,3,4-thiadiazole linker core were synthesized, where (+)-and (-)-campholenic and (+)-camphor derivatives were used as monoterpene fragments. The campholenic derivatives showed activity against TDP1 at a low micromolar range with IC₅₀ ~5-6μM, whereas camphor-containing compounds were ineffective. Surprisingly, all the compounds synthesized demonstrated a clear synergy with topotecan, a TOP1 poison, regardless of their ability to inhibit TDP1. These findings imply that different pathways of enhancing topotecan toxicity other than the inhibition of TDP1 can be realized.

Molecules published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Formula: C10H15ClO3S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kharrasova, F. M. published the artcileReaction of carbon tetrachloride with alkyl esters of three-coordinate phosphorus atom acids in the presence of benzaldehyde, Quality Control of 866-23-9, the publication is Zhurnal Obshchei Khimii (1979), 49(11), 2442-6, database is CAplus.

The reaction of CCl₄ with RR¹POR² (R = EtO, Et, p-ClC₆H₄, p-MeC₆H₄; R¹ = EtO, BuO, Et; R² = Me, Et, Bu) (5 compounds) in presence of BzH (1:2:2) was investigated. Thus, reaction of (EtO)₃P with CCl₄ gave (EtO)₂P(O)CCl₃, (EtO)₃PO, (EtO)₂P(O)Cl, stilbene, PhCH:CCl₂, (EtO)₂P(O)OCH(CCl₃)Ph and a pyrophosphate. The mechanism of formation of the products was discussed.

Zhurnal Obshchei Khimii published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Quality Control of 866-23-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Lashkhi, V. L. published the artcileIR spectroscopic study phosphonic acid esters – antiwear additives for oil, Product Details of C5H10Cl3O3P, the publication is Khimiya i Tekhnologiya Topliv i Masel (1977), 59-61, database is CAplus.

The relation between the antiwear properties of R1PO(OR2)2 (R1 = Me, MeC6H4, CCl3, Ph, CCl3C6H4; R2 = Et, MeC6H4, Bu, CH2CCl3, C6H4Pr) lubricating oil additives and their IR spectra was determined The force constants and vibration frequencies of the P:O and P-O-C bonds vary with the electronegativity of R1 and R2. A direct correlation was established between the vibration frequency of the P:O bond and adhesion of the phosphonate to a steel surface.

Khimiya i Tekhnologiya Topliv i Masel published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Product Details of C5H10Cl3O3P.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Barhoumi, A. published the artcileA DFT study of the mechanism and regioselectivity of the reaction between diethyl trichloro-methyl phosphonate and diphenyl methyl phosphinite, Category: chlorides-buliding-blocks, the publication is Moroccan Journal of Chemistry (2020), 8(4), 830-840, database is CAplus.

The reaction of di-Et trichloro-Me phosphonate (C1) with di-Ph Me phosphinite (C2), has been scrutinized within the D. Function Theory at the B3LYP/6-311(d,p) computational level. The regiosomeric reaction paths involving the two center of compound (C1) have been studied. DFT calculations account for the high regioselectivity in the chlorine atom, in complete agreement with the exptl. outcomes.

Moroccan Journal of Chemistry published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics