Month: February 2023

Synthesis, Crystal Structure, and Thermal Decomposition Kinetics of the Ternary Complex [Sm(5-Cl-2-MOBA)₃phen]₂ was written by Wang, Juan-Fen;Zhang, Da-Hai;Liu, Xin;Wu, Ke-Zhong;Zhang, Jian-Jun. And the article was included in Journal of Chemical & Engineering Data in 2010.Name: 5-Chloro-2-methoxybenzoic acid This article mentions the following:

The synthesis and structure determination of the Sm(III) complex with 1,10-phenanthroline (phen) and 5-chloro-2-methoxybenzoate (5-Cl-2-MOBA) are reported. The crystal and mol. structure of the complex, as well as its mol. formula and composition [Sm(5-Cl-2-MOBA)₃phen]₂, were determined by single-crystal x-ray diffraction, elemental analyses, and IR and thermogravimetric/differential thermogravimetric (TG-DTG) measurements. Meanwhile, the molar conductance and the UV spectra of the complex were measured and depicted. The crystal of the complex belongs to the triclinic crystal system, space group P1虆 with a 10.729(2), b 13.0971(18), c 13.5925(19) 脜, 伪 64.376(5), 尾 84.571(6), 纬 87.733(7)掳, Z = 1, d_c = 1.719 t m^-3, 渭 = 2.006 mm^-1, and F(000) = 882. Each Sm(III) ion in the crystal is nine-coordinate with a distorted monocapped square antiprismatic conformation. The Sm(III) ion in the complex is coordinated by two O atoms of one chelating bidentate carboxylate group, five O atoms of two bridging bidentate, and two bridging-chelating tridentate carboxylate groups and two N atoms of one 1,10-phenanthroline mol. The thermal decomposition of [Sm(5-Cl-2-MOBA)₃phen]₂ can be divided into three stages. By the Malek method, SB(m,n) was defined as the kinetic model of the 1st-step thermal decomposition The activation energy E of this step is 183.63 kJ mol^-1, and the pre-exponential factor ln A is 39.59. The thermodn. parameters 螖G^{鈮?/sup>, 螖H鈮?/sup>, and 螖S鈮?/sup> of activation at the peak temperature were also calculated In the experiment, the researchers used many compounds, for example, 5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2Name: 5-Chloro-2-methoxybenzoic acid).}

5-Chloro-2-methoxybenzoic acid (cas: 3438-16-2) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Name: 5-Chloro-2-methoxybenzoic acid

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

Chlorination of ketones with N-chlorosaccharin was written by Panchatsharam, V. S.;Sundaram, S.;Venkatasubramanian, N.. And the article was included in Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical in 1981.Related Products of 14070-51-0 This article mentions the following:

A Taft LFER for the title reaction gave 蟻^* = -0.49 which is in accordance with an enolization mechanism that involves the development of pos. charge in the transition state. In the experiment, the researchers used many compounds, for example, 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 14070-51-0Related Products of 14070-51-0).

2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 14070-51-0) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Related Products of 14070-51-0

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

Anion Chelation via Double Chalcogen Bonding: The Case of a Bis-telluronium Dication and Its Application in Electrophilic Catalysis via Metal-Chloride Bond Activation was written by Zhou, Benyu;Gabbai, Francois P.. And the article was included in Journal of the American Chemical Society in 2021.COA of Formula: C19H15Cl This article mentions the following:

Telluronium cations have long been known to engage their counteranions via secondary interactions. Yet, this property has rarely been exploited for anion binding. Motivated by such an application, we have now synthesized a bis-telluronium dication ([3]²⁺) that was obtained as a tetrafluoroborate salt by reaction of 2,7-di-tert-butyl-9,9-dimethylxanthene-4,5-diboronic acid with phenoxatellurine difluoride and BF₃路OEt₂. As confirmed by the formation of Te-(渭-BF₄)-Te bridges in the structure of [3][BF₄]₂, [3]²⁺ functions as a bidentate Lewis acid toward anions. [3][BF₄]₂ has also been converted into the more exposed [3][BArF₂₄]₂ ([BArF₂₄]^– = [B(3,5-(CF₃)₂C₆H₃)₄]^–). The latter, which readily ionizes Ph₃CCl, displays a chloride anion binding constant that exceeds that of a monofunctional model compound by almost 4 orders of magnitude. The unique properties of this new bis-telluronium dication are further highlighted by its ability to activate Ph₃PAuCl and cis-(Ph₃P)₂PtCl₂, leading to catalytic systems highly active in the cycloisomerization of propargylamide or enyne substrates. In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5COA of Formula: C19H15Cl).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.COA of Formula: C19H15Cl

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

¹⁵N NMR chemical shifts of ring substituted benzonitriles was written by Zacek, Petr;Dransfeld, Alk;Exner, Otto;Schraml, Jan. And the article was included in Magnetic Resonance in Chemistry in 2006.Safety of 3-Cyanobenzoyl chloride This article mentions the following:

¹⁵N chem. shifts in an extensive series of para, meta, as well as ortho-substituted benzonitriles, X-C₆H₄-CN, were measured in deuteriochloroform solutions, using three different methods of referencing. The standard error of the average chem. shift was less than 0.03 ppm in most cases. The results are discussed for both empirical correlations with substituent parameters and quantum chem. calculations The ¹⁵N chem. shifts calculated at the GIAO/B3LYP/6-31+G*//B3LYP/6-31+G* level reproduce the exptl. values well, and include nitrogen atoms in the substituent groups (range of 300 ppm with slope 0.98 and R = 0.998, n = 43). The ¹⁵N shifts in hydroxybenzonitriles are affected by interaction with the OH group. Therefore, these derivatives are excluded from the correlation anal. The resultant ¹⁵N chem. shift correlates well with substituent constants, both in the simple Hammett or DSP relationships and the ¹³C substituent-induced chem. shifts of the CN carbon. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Safety of 3-Cyanobenzoyl chloride).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Safety of 3-Cyanobenzoyl chloride

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

Multi-component cascade reaction of 3-formylchromones: highly selective synthesis of 4,5-dihydro-[4,5′-bipyrimidin]-6(1H)-one derivatives was written by Chen, Li;Huang, Rong;Yun, Xing-Han;Hao, Tian-Hui;Yan, Sheng-Jiao. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2021.Synthetic Route of C7H8Cl2N2 This article mentions the following:

A novel protocol for the construction of highly functionalized bipyrimidine derivatives from 3-formylchromones, Et 2-(pyridine-2-yl)acetate derivatives, and amidine hydrochlorides via an interesting and considerably complex multi-component cascade reaction was developed. The cascade reaction was manifested by refluxing a mixture of the three substrates in acetonitrile or DMF along with Cs₂CO₃. A series of 4,5-dihydro-[4,5′-bipyrimidin]-6(1H)-ones (DBPMOs) was constructed regioselectively in suitable to excellent yields. Moreover, DBPMOs then underwent a novel, metal and oxidant-free cascade reaction to produce a series of [4,5′-bipyrimidin]-6(1H)-ones (BPMOs). The formation of the bipyrimidine derivatives was enabled by the formation of five bonds and the cleavage of one bond in one pot. This protocol can be used in the synthesis of functionalized bipyrimidine derivatives via a multi-component one-pot cascade reaction rather than multi-step reactions, which were suitable for both combinatorial and parallel syntheses of bipyrimidine derivatives In the experiment, the researchers used many compounds, for example, 2-Chloro-benzamidine hydrochloride (cas: 18637-02-0Synthetic Route of C7H8Cl2N2).

2-Chloro-benzamidine hydrochloride (cas: 18637-02-0) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Synthetic Route of C7H8Cl2N2

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

An expedient strategy for the synthesis of tryptamines and other heterocycles was written by Nicolaou, K. C.;Krasovskiy, Arkady;Trepanier, Vincent E.;Chen, David Y.-K.. And the article was included in Angewandte Chemie, International Edition in 2008.COA of Formula: C11H14ClNO2 This article mentions the following:

N-Boc-protected anilines are converted into an array of useful N-heterocycles and tryptamines through an expedient, cascade-based synthetic sequence involving ortho metalation and subsequent coupling with N-Boc-pyrrolidin-3-one. In the experiment, the researchers used many compounds, for example, tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6COA of Formula: C11H14ClNO2).

tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.COA of Formula: C11H14ClNO2

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

Palladium-Catalyzed anti-Michael Reductive Heck Reaction of 伪,尾-Unsaturated Esters was written by Guo, Tao;Ding, Yalan;Zhou, Lili;Xu, Haiyan;Loh, Teck-Peng;Wu, Xiaojin. And the article was included in ACS Catalysis in 2020.HPLC of Formula: 206559-40-2 This article mentions the following:

A general intermol. anti-Michael reductive Heck reaction of 伪,尾-unsaturated esters with organobromides has been developed. Most topical classes of aryl, heteroaryl, and vinyl bromides were found to efficiently react with a variety of internal conjugated alkenes. This protocol set up a platform toward diverse 伪-arylated 1,6-dicarbonyl frameworks found in natural products and drugs, which are still highly challenging targets in traditional 伪-arylation protocols because of competitive selectivity of enolation. A removable directing group, gram-scale reaction, and modification of complex mols. have addnl. demonstrated that the anti-Michael reductive Heck reaction is a powerful complementary strategy to the classical 伪-arylation approaches. Preliminary mechanistic studies are consistent with our proposed mechanistic design. In the experiment, the researchers used many compounds, for example, 5-Bromo-2-chloro-m-xylene (cas: 206559-40-2HPLC of Formula: 206559-40-2).

5-Bromo-2-chloro-m-xylene (cas: 206559-40-2) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.HPLC of Formula: 206559-40-2

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

The decarboxylative acylation of arylacetic acids was written by King, John A.;McMillan, Freeman H.. And the article was included in Journal of the American Chemical Society in 1951.Reference of 6834-42-0 This article mentions the following:

The conversion of arylacetic acids to ketones by means of Ac₂O is another instance of the base-catalyzed condensation of CO compounds Acid anhydride mols. function as both the addendum and the acceptor. A mechanism is presented which involves a quasi six-membered ring. It not only satisfactorily accommodates all the known facts but also demonstrates the manner in which CO₂ evolution acts as the driving force for the reaction. PhCH₂CO₂H (13.6 g.), 50 cc. Ac₂O, and 50 cc. pyridine refluxed 6 hrs., the solvent removed, the residue in C₆H₆ washed with 10% NaOH, the C₆H₆ evaporated, and the residue (12 g.) distilled yielded 7.5 g. PhCH₂COMe (I), b_0.1 30-64掳 (all b.ps. and m. ps. uncorrected) (phenylhydrazone m. 82-4掳), an intermediate cut, and 2.5 g. (PhCH₂)₂CO (II), b_0.1 112-25掳; oxime, m. 120-2掳. Action of Ac₂O and pyridine or NaOAc on MeCHPhCO₂H (III), PhCH₂CH₂CO₂H (IV), and Ph₂CHCO₂H (V): 0.10 mole of the acid, 50 or 100 cc. Ac₂O, and 1 volume pyridine refluxed 2-3 hrs. yielded no CO₂; removal of excess reagents gave the anhydride, b.p. or m.p. given: III, b_0.15 121-7掳; IV, b_0.05 135-45掳; V, m. 93.5-95掳; the anhydride gave IV, m. 47-8.5掳; the anhydride of V gave diphenylacetanilide, m. 177-9掳. The reaction was the same with NaOAc. m-MeOC₆H₄CH₂CO₂H (33.2 g.) treated dropwise with 125 cc. SOCl₂, the mixture refluxed 2.5 hrs. and distilled yielded 25 g. acid chloride, b_0.3-0.4 80-4掳, b_0.2 44-7掳. One equivalent of the acid chloride added dropwise to a stirred suspension of 1 equivalent of the Na salt of the acid in 10 volumes C₆H₆, the mixture stirred 3 hrs., filtered, and the filtrate concentrated yielded the acid anhydride (acid, yield (%), and m.p. given): phenylacetic, 87, 68-71掳; o-chlorophenylacetic, 77, 71-3掳 (from petr. ether containing C₆H₆); m-methoxyphenylacetic, 83, 41-1.5掳; 1-naphthylacetic, 79, 116-17掳. (PhCH₂CO)₂O (VI) (25.4 g.), 100 cc. Ac₂O, and 100 cc. pyridine refluxed 130 min. (1600 cc. CO₂ evolved, not S.T.P.), excess reagents removed in vacuo, the cooled residue treated with 150 cc. 10% NaOH, the mixture extracted with two 125-cc. portions of Et₂O, and the extract distilled yielded 9.3 g. I, b₅ 84-95掳, and 5.4 g. II, b₅ 160-8掳; NaOAc instead of pyridine gave 22% I and 45% II; pyridine and VI gave 30% II; NaOAc alone gave 4% I and 10% II. VI (12.7 g.) and 50 cc. base (cf. below) heated 2.5 hrs. at 130-40掳, cooled, diluted with 100 cc. C₆H₆ the C₆H₆ solution washed twice with 100-cc. portions of 1:1 HCl, once with water and once with 10% NaOH, and fractionated gave II; base, cc. of CO₂, yield in g. of II, yield (%) of II, b.p./mm., and m.p. of oxime given: isoquinoline, 30, 0.2, 4, 80-5掳/0.04-0.05, 117-19掳; 2,4,6-collidine, 150, 1.3, 25, 100-10掳/0.12-0.5, 119-20掳; 2-picoline, 70, 0.7, 13, 96-7掳/0.10, 122-4掳; Bu₃N, none, 5.3, 100, 106-16掳/0.15, 117-19.5掳. VI (12.7 g.), 50 cc. (EtCO)₂O, and 50 cc. pyridine refluxed 3.25 hrs. (920 cc. CO₂ evolved), the solvents removed in vacuo, the residue partitioned between 200 cc. each C₆H₆ and 10% NaOH, and the C₆H₆ layer distilled yielded 3.7 g. II, b_0.1 106-17掳, and 3.3 g. PhCH₂COEt, b_0.1 50-2.掳; semicarbazone m. 148-9掳 (from alc.). The acid anhydride (0.05 mole) and 50 cc. pyridine refluxed until evolution of CO₂ ceased, the mixture evaporated in vacuo, and the residue partitioned between 100 cc. each C₆H₆ and 10% KOH yielded the substituted compounds ArCH₂COCH₂Ar, Ar, yield (%), b.p./mm., m.p., and m.p. of the semicarbazone given: o-ClC₆H₄, 43, 150-1掳/0.02, 100.5-101掳, 153-5掳; m-MeOC₆H₄, 12, 154-8掳/0.2, -, 130-6.5掳; 1-C₁₀H₇, 19, 190-200掳/0.1, 108-9掳, 143-4掳. In the experiment, the researchers used many compounds, for example, 2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0Reference of 6834-42-0).

2-(3-Methoxyphenyl)acetyl chloride (cas: 6834-42-0) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Reference of 6834-42-0

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