Month: February 2023

Reductions of disubstituted nitrobenzenes with metal hydrides. Part II. Use of sodium borohydride in the preparation of tetrasubstituted azoxybenzenes was written by Islam, Nurul;Khan, Abdus Samad. And the article was included in Bangladesh Journal of Scientific and Industrial Research in 1992.COA of Formula: C8H9NO3 This article mentions the following:

Five azoxybenzenes X(Me)C₆H₄N(O):NC₆H₄(Me)X (X = halide) were prepared in 80-90% yield by reduction of halo(methyl)nitrobenzenes with NaBH₄ in EtOH or MeOH. Nitrobenzenes containing an o– or p-fluoride relative to the nitro group were not reduced; rather, the F was replaced by alkoxide from the solvent. Oxidation of dihalodimethylazobenzenes X(Me)C₆H₄N:NC₆H₄(Me)X with AcOOH (30% H₂O₂ in AcOH) afforded 8 tetrasubstituted azoxybenzenes in 83-88% yield. Reduction of the azoxybenzenes with Zn dust and AcOH gave the corresponding azobenzenes. In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitroanisole (cas: 5367-32-8COA of Formula: C8H9NO3).

3-Methyl-4-nitroanisole (cas: 5367-32-8) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil. Autoxidation is the spontaneous oxidation of a compound in air. In the presence of oxygen, ethers slowly autoxidize to form hydroperoxides and dialkyl peroxides. If concentrated or heated, these peroxides may explode. To prevent such explosions, ethers should be obtained in small quantities, kept in tightly sealed containers, and used promptly.COA of Formula: C8H9NO3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Regio-Selective C3- and N-Alkylation of Indolines in Water under Air Using Alcohols was written by Maji, Milan;Borthakur, Ishani;Srivastava, Sameer;Kundu, Sabuj. And the article was included in Journal of Organic Chemistry in 2022.COA of Formula: C8H10O2 This article mentions the following:

Authors disclosed a regio-selective C-H and N-H bond functionalization of indolines using alcs. in water via tandem dehydrogenation of N-heterocycles and alcs. A diverse range of N- and C3-alkylated indolines/indoles were accessed utilizing a new cooperative iridium catalyst. The practical applicability of this methodol. was demonstrated by the preparative-scale synthesis and synthesis of a psychoactive drug, N,N-dimethyltryptamine. A catalytic cycle is proposed based on several kinetic experiments and a series of control experiments and d. functional theory calculations In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5COA of Formula: C8H10O2).

(4-Methoxyphenyl)methanol (cas: 105-13-5) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. Ethers feature bent C閳ユ彊閳ユ弲 linkages. In dimethyl ether, the bond angle is 111鎺?and C閳ユ彊 distances are 141 pm. The barrier to rotation about the C閳ユ彊 bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.COA of Formula: C8H10O2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Pharmacokinetic profiling of anticancer phytocompounds using computational approach was written by Sharma, Ashish;Sharma, Shilpa;Gupta, Mansi;Fatima, Shehnaz;Saini, Ravi;Agarwal, Subhash Mohan. And the article was included in Phytochemical Analysis in 2018.Computed Properties of C11H16O3 This article mentions the following:

Introduction : Natural products exhibit diverse scaffolds and are considered as suitable candidates for development of leads. However, poor pharmacokinetics often acts as a hindrance during the drug discovery process. Objective : With a view of exploring the absorption, distribution, metabolism, excretion and toxicity (ADMET) profile of plant-based anticancer compounds, open-access databases (NPACT, CancerHSP and TaxKB) were analyzed to identify mols. having properties favorable for drug ability. Methodol. : Our workflow involved identification of mols. capable of passing each of the ADMET barriers based on physicochem. properties of mols., and physiol. barriers and factors. Results : The results revealed that out of 5086 phytomols., 63% were orally absorbable and 52% distributable. Also, an appreciable proportion of these compounds (45%) could be metabolised and excreted. Furthermore, 28% were found to be non-toxic for cardio toxicity and central nervous system (CNS) activity. Addnl., comparison against known anticancer drugs (reference dataset) revealed that the three libraries exhibit similar trends, thus providing addnl. confidence to the predictions. Overall, 28% of the mol. dataset was found to have suitable pharmacokinetic properties. We have also discussed a few natural products which exhibit favorable ADMET as well as low nano-micromolar in vitro anticancer activity. Conclusion : We have created an interactive database (ADMETCan), which provides access to predicted ADMET of these anticancer phytomols. The ease of availability of this dataset is expected to minimise failure rate of these compounds and thus is expected to be beneficial to the scientific community involved in anticancer identification and development. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Computed Properties of C11H16O3).

3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).Computed Properties of C11H16O3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Copper-Catalyzed Intermolecular Enantioselective Radical Oxidative C(sp³)-H/C(sp)-H Cross-Coupling with Rationally Designed Oxazoline-Derived N,N,P(O)-Ligands was written by Liu, Lin;Guo, Kai-Xin;Tian, Yu;Yang, Chang-Jiang;Gu, Qiang-Shuai;Li, Zhong-Liang;Ye, Liu;Liu, Xin-Yuan. And the article was included in Angewandte Chemie, International Edition in 2021.Related Products of 3929-47-3 This article mentions the following:

Here, a copper-catalyzed asym. C(sp³)-C(sp) cross-coupling of (hetero)benzylic and (cyclic)allylic C-H bonds with terminal alkynes that occurs with high to excellent enantioselectivity was reported. Critical to the success is the rational design of chiral oxazoline-derived N,N,P(O)-ligands that not only tolerate the strong oxidative conditions which were requisite for intermol. hydrogen atom abstraction (HAA) processes but also induce the challenging enantiocontrol. Direct access to a range of synthetically useful chiral benzylic alkynes and 1,4-enynes, high site-selectivity among similar C(sp³)-H bonds, and facile synthesis of enantioenriched medicinally relevant compounds make this approach very attractive. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Related Products of 3929-47-3).

3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. But on the other hand, ethers undergo cleavage by reaction with acids. Autoxidation is the spontaneous oxidation of a compound in air. In the presence of oxygen, ethers slowly autoxidize to form hydroperoxides and dialkyl peroxides. If concentrated or heated, these peroxides may explode. To prevent such explosions, ethers should be obtained in small quantities, kept in tightly sealed containers, and used promptly.Related Products of 3929-47-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Ligand free copper-catalyzed heterogeneous O-arylation reaction under green condition was written by Maity, Tanmoy;Saha, Debraj;Das, Soma;Bhunia, Susmita;Koner, Subratanath. And the article was included in Catalysis Communications in 2015.Safety of 1-(4-(4-Methoxyphenoxy)phenyl)ethanone This article mentions the following:

A highly porous Zn-based iso-reticular metal-organic framework (IRMOF-3) has been selected for covalent modification. Pyridine-2-aldehyde has been used to decorate the free amine group of IRMOF-3 in the porous matrix. Schiff base moiety thus generated has been availed to anchor copper(II) ions to prepare the desired catalyst that catalyzes O-arylation reactions heterogeneously under mild reaction conditions. Porous catalyst demonstrates size selectivity in products when various substrates undergo O-arylation with 浼?and 灏?naphthol. In the experiment, the researchers used many compounds, for example, 1-(4-(4-Methoxyphenoxy)phenyl)ethanone (cas: 54916-28-8Safety of 1-(4-(4-Methoxyphenoxy)phenyl)ethanone).

1-(4-(4-Methoxyphenoxy)phenyl)ethanone (cas: 54916-28-8) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. But on the other hand, ethers undergo cleavage by reaction with acids. At room temperature, ethers are pleasant-smelling colourless liquids. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil.Safety of 1-(4-(4-Methoxyphenoxy)phenyl)ethanone

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Silacrown ethers: synthesis of macrocyclic diphenylpolyethylene glycol mono- and disilanes was written by Oddon, Gilles;Hosseini, Mir Wais. And the article was included in Tetrahedron Letters in 1993.COA of Formula: C11H22O5 This article mentions the following:

New mono- and disilacrown ethers I–IV [[k]O_lSi_m: (k,l,m) = (8,3,1); (11,4,1); (16,6,2); (22,8,2), resp.] were prepared by reacting Ph₂SiCl₂ with HO(CH₂CH₂O)_nH (n=2, 3) in the presence of base. Variation of the bases revealed that cations could act as templates and thus orient the synthesis towards the mono- or the disilanes. In the experiment, the researchers used many compounds, for example, 2-(2-(2-((Tetrahydro-2H-pyran-2-yl)oxy)ethoxy)ethoxy)ethan-1-ol (cas: 60221-37-6COA of Formula: C11H22O5).

2-(2-(2-((Tetrahydro-2H-pyran-2-yl)oxy)ethoxy)ethoxy)ethan-1-ol (cas: 60221-37-6) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).COA of Formula: C11H22O5

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Use of high-frequency conductometry in organic chemistry. IV. Acid-base properties of aromatic alcohols of the phenylpropane and guaiacylpropane series was written by Cemeris, M.;Galochkin, A. I.. And the article was included in Koksnes Kimija in 1974.Reference of 3929-47-3 This article mentions the following:

The acidities of phenylalkanols decreased in the order p-O2NC6H4CH2OH > PhCH2OH > PhCH:CHCH2OH > PhCH2CH2OH > PhCHEtOH > Ph(CH2)3OH; those of veratryl alcs. decreased in the order ZCH:CHCH2OH [Z = 3,4-(MeO)2C6H3] > Z(CH2)3OH > ZCHEtOH; those of guaiacylpropanols were comparable with that of PhCH2OH. In the experiment, the researchers used many compounds, for example, 3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3Reference of 3929-47-3).

3-(3,4-Dimethoxyphenyl)propan-1-ol (cas: 3929-47-3) belongs to ethers. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides. Ethers feature bent C閳ユ彊閳ユ弲 linkages. In dimethyl ether, the bond angle is 111鎺?and C閳ユ彊 distances are 141 pm. The barrier to rotation about the C閳ユ彊 bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.Reference of 3929-47-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Homoallylboration of Aldehydes: Stereoselective Synthesis of Allylic-Substituted Alkenes and E-Alkenes was written by Polyak, Daniel;Xu, Bokai;Krauss, Isaac J.. And the article was included in Organic Letters in 2022.HPLC of Formula: 105-13-5 This article mentions the following:

In this study, the scope and reactivity of homoallylation with cyclopropylcarbinylboronates I (R = Et, but-3-en-1-yl, Ph, Bn, etc.) bearing various aliphatic and aromatic 浼? and 绾?substituents were explored. The 浼?alkyl substituted boronates I afforded E-disubstituted alkenyl secondary alcs. C₆H₅CH₂CH₂CH(OH)CH₂CH₂CH=CHR in high e.r., while aryl substituents promoted rearrangement. The 绾?alkyl substituents all resulted in diastereoselective homoallylation, while aryl substitution changed the outcome to cyclopropylcarbinylation. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5HPLC of Formula: 105-13-5).

(4-Methoxyphenyl)methanol (cas: 105-13-5) belongs to ethers. The oxygen atom in ethers are more electronegative than carbon, thus the hydrogens which are alpha to the ethers are more acidic than the simple hydrocarbons. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).HPLC of Formula: 105-13-5

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Electrochemical stability of glyme-based electrolytes for Li-O₂ batteries studied by in situ infrared spectroscopy was written by Horwitz, Gabriela;Calvo, Ernesto J.;Mendez De Leo, Lucila P.;de la Llave, Ezequiel. And the article was included in Physical Chemistry Chemical Physics in 2020.SDS of cas: 112-49-2 This article mentions the following:

In situ subtractively normalized Fourier transform IR spectroscopy (SNIFTIRS) experiments were performed simultaneously with electrochem. experiments relevant to Li-air battery operation on gold electrodes in two glyme-based electrolytes: diglyme (DG) and tetraglyme (TEGDME), tested under different operational conditions. The results show that TEGDME is intrinsically unstable and decomposes at potentials between 3.6 and 3.9 V vs. Li+/Li even in the absence of oxygen and lithium ions, while DG shows a better stability, and only decomposes at 4.0 V vs. Li+/Li in the presence of oxygen. The addition of water to the DG based electrolyte exacerbates its decomposition, probably due to the promotion of singlet oxygen formation. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2SDS of cas: 112-49-2).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) belongs to ethers. The oxygen atom in ethers are more electronegative than carbon, thus the hydrogens which are alpha to the ethers are more acidic than the simple hydrocarbons. The unique properties of ethers (i.e., that they are strongly polar, with nonbonding electron pairs but no hydroxyl group) enhance the formation and use of many reagents. For example, Grignard reagents cannot form unless an ether is present to share its lone pair of electrons with the magnesium atom. Complexation of the magnesium atom stabilizes the Grignard reagent and helps to keep it in solution.SDS of cas: 112-49-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Synthesis of 4-nitro- and 4-aminophenylazacrown ethers was written by Oshchepkov, Aleksandr S.;Oshchepkov, Maksim S.;Anisimov, Alexander V.;Fedorova, Olga A.. And the article was included in Makrogeterotsikly in 2015.HPLC of Formula: 66943-05-3 This article mentions the following:

The study was dedicated to finding optimal reaction conditions for the introduction of 4-nitro- and 4-aminophenyl substituents into the structure of azacrown ethers with a varied ratio of oxygen to nitrogen heteroatoms. The synthetic procedure was proposed for the synthesis of 4-nitroaryl derivatives of crown ethers. This method was remarkably simple, has easy work-up and affords the formation solely of the monoarylation product. In the experiment, the researchers used many compounds, for example, 1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3HPLC of Formula: 66943-05-3).

1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3) belongs to ethers. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides. Ethyl ether is an excellent solvent for extractions and for a wide variety of chemical reactions. It is also used as a volatile starting fluid for diesel engines and gasoline engines in cold weather. Dimethyl ether is used as a spray propellant and refrigerant. Methyl t-butyl ether (MTBE) is a gasoline additive that boosts the octane number and reduces the amount of nitrogen-oxide pollutants in the exhaust. The ethers of ethylene glycol are used as solvents and plasticizers.HPLC of Formula: 66943-05-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem