Category: 4221-99-2

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Application of deuterated THENA for assigning the absolute configuration of chiral secondary alcohols, published in 2019-02-07, which mentions a compound: 4221-99-2, mainly applied to deuterated tetrahydroepoxynaphthalene carboxylic acid preparation; chiral secondary alc configuration assignment, Synthetic Route of C4H10O.

The structure of a constrained bicyclic chiral derivatizing agent (CDA), 1,2,3,4-tetrahydro-1,4-epoxynaphthalene-1-carboxylic acid, THENA 1, was modified by replacing both exo-methylene protons with deuterium atoms. The modified CDA, THENA-d22, could be used to assign the absolute configuration of chiral secondary alcs. with good reliability. Compared with THENA, the multiplicity of the methylene proton signals in the 1H NMR spectra of THENA-d2 derivatives is less complicated and the new CDA thus offers simpler NMR spectra for data interpretation.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Computed Properties of C4H10O. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: (S)-Butan-2-ol, is researched, Molecular C4H10O, CAS is 4221-99-2, about Nickel-Catalyzed Enantioconvergent Reductive Hydroalkylation of Olefins with α-Heteroatom Phosphorus or Sulfur Alkyl Electrophiles. Author is He, Shi-Jiang; Wang, Jia-Wang; Li, Yan; Xu, Zhe-Yuan; Wang, Xiao-Xu; Lu, Xi; Fu, Yao.

Substantial advances in enantioconvergent C(sp3)-C(sp3) bond formation reactions have been made in recent years through the use of transition-metal-catalyzed cross-coupling reactions of racemic secondary alkyl electrophiles with organometallic reagents. Herein, we report a general process for the asym. construction of alkyl-alkyl bonds adjacent to heteroatoms, namely, a nickel-catalyzed enantioconvergent reductive hydroalkylation of olefins with α-heteroatom phosphorus or sulfur alkyl electrophiles. Including the use of readily available olefins, this reaction has considerable advantages, such as mild reaction conditions, a broad substrate scope, and good functional group compatibility, making it a desirable alternative to traditional electrophile-nucleophile cross-coupling reactions.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Padula, Daniele; Mazzeo, Giuseppe; Santoro, Ernesto; Scafato, Patrizia; Belviso, Sandra; Superchi, Stefano published the article 《Amplification of the chiroptical response of UV-transparent amines and alcohols by N-phthalimide derivatization enabling absolute configuration determination through ECD computational analysis》. Keywords: amine alc phthalimide conformer optical activity UV CD spectra.They researched the compound: (S)-Butan-2-ol( cas:4221-99-2 ).Recommanded Product: 4221-99-2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:4221-99-2) here.

The stereoselective transformation of chiral UV-transparent amines and alcs. to phthalimides has proved to be a simple and efficient method to enhance the chiroptical response of these substrates allowing their reliable absolute configuration determination by computational anal. of ECD spectra. Such a transformation also leads to a significant reduction in the mol. conformational flexibility thus simplifying the conformational anal. required by the computational treatment. The method described herein thus allows the absolute configuration assignment to these challenging substrates to be much easier and reliable.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Single Bimetallic Lanthanide-Based Metal-Organic Frameworks for Visual Decoding of a Broad Spectrum of Molecules, published in 2020-04-07, which mentions a compound: 4221-99-2, mainly applied to bimetallic lanthanide metal organic frameworks visual decoding mol, Computed Properties of C4H10O.

Distinguishing the delicate structural differences among mols. is a critical and challenging task in biol./chem. anal. A mol. decoding strategy has recently become promising to differentiate similar mols., which is advantageous over the common sensing methods mostly used for detecting a single target. However, the design of an ideal mol. decoder is still strictly hindered by the tailored preparation of probes for particular mols. and the severe lack of widespread feasibility. We herein for the first time proposed to use single bimetallic lanthanide-based metal-organic frameworks (Ln-MOFs) as a powerful, versatile probe for fast and facile decoding of homologues, isomers, enantiomers, and even deuterated isotopomers, based on the unique host-guest interaction of a specific target with the Ln-MOF which could provide an according visual output based on the modulated energy transfer process.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: (S)-Butan-2-ol, is researched, Molecular C4H10O, CAS is 4221-99-2, about Mechanistic insight into the stereoselective cationic polymerization of vinyl ethers.Name: (S)-Butan-2-ol.

The control of the tacticity of synthetic polymers enables the realization of emergent phys. properties from readily available starting materials. While stereodefined polymers derived from nonpolar vinyl monomers can be efficiently prepared using early transition metal catalysts, general methods for the stereoselective polymerization of polar vinyl monomers remain underdeveloped. We recently demonstrated asym. ion pairing catalysis as an effective approach to achieve stereoselective cationic polymerization of vinyl ethers. Herein, we provide a deeper understanding of stereoselective ion-pairing polymerization through comprehensive exptl. and computational studies. These findings demonstrate the importance of ligand deceleration effects for the identification of reaction conditions that enhance stereoselectivity, which was supported by computational studies that identified the solution-state catalyst structure. An evaluation of monomer substrates with systematic variations in steric parameters and functional group identities established key structure-reactivity relationships for stereoselective homo- and copolymerization Expansion of the monomer scope to include enantioenriched vinyl ethers enabled the preparation of an isotactic poly(vinyl ether) with the highest stereoselectivity (95.1% ± 0.1 meso diads) reported to date, which occurred when monomer and catalyst stereochem. were fully matched under a triple diastereocontrol model. The more complete understanding of stereoselective cationic polymerization reported herein offers a foundation for the design of improved catalytic systems and for the translation of isotactic poly(vinyl ether)s to applied areas.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Synthesis and enantioselective pharmacokinetic/pharmacodynamic analysis of new CNS-active sulfamoylphenyl carbamate derivatives, published in 2021, which mentions a compound: 4221-99-2, Name is (S)-Butan-2-ol, Molecular C4H10O, Category: tetrahydrofurans.

We recently reported a new class of carbamate derivatives as anticonvulsants. Among these, 3-methylpentyl(4-sulfamoylphenyl)carbamate (MSPC) stood out as the most potent compound with ED50 values of 13 mg/kg (i.p.) and 28 mg/kg (p.o.) in the rat maximal electroshock test (MES). 3-Methylpropyl(4-sulfamoylphenyl)carbamate (MBPC), reported and characterized here, is an MSPC analogus compound with two less aliphatic carbon atoms in its structure. As both MSPC and MBPC are chiral compounds, here, we studied the carbonic anhydrase inhibitory and anticonvulsant action of both MBPC enantiomers in comparison to those of MSPC as well as their pharmacokinetic properties. Racemic-MBPC and its enantiomers showed anticonvulsant activity in the rat maximal electroshock (MES) test with ED50 values in the range of 19-39 mg/kg. (R)-MBPC had a 65% higher clearance than its enantiomer and, consequently, a lower plasma exposure (AUC) than (S)-MSBC and racemic-MSBC. Nevertheless, (S)-MBPC had a slightly better brain permeability than (R)-MBPC with a brain-to-plasma (AUC) ratio of 1.32 (S-enantiomer), 1.49 (racemate), and 1.27 (R-enantiomer). This may contribute to its better anticonvulsant-ED50 value. The clearance of MBPC enantiomers was more enantioselective than the brain permeability and MES-ED50 values, suggesting that their anticonvulsant activity might be due to multiple mechanisms of action.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Chen, Jie; Kong, Fanhui; Ma, Nana; Zhao, Panxia; Liu, Chuanfei; Wang, Xiling; Cong, Zhiqi published the article 《Peroxide-Driven Hydroxylation of Small Alkanes Catalyzed by an Artificial P450BM3 Peroxygenase System》. Keywords: alkane hydroxylation P450BM3 peroxygenase hydrogen peroxide protein engineering.They researched the compound: (S)-Butan-2-ol( cas:4221-99-2 ).Product Details of 4221-99-2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:4221-99-2) here.

We report the selective hydroxylation of small alkanes with H2O2 catalyzed by an artificial P 450 peroxygenase system generated from engineered cytochrome P450BM3 variants in assistance with dual-functional small mol. (DFSM), in which DFSM acts as a general acid-base co-catalyst for activating H2O2. This peroxygenase system exhibited comparable catalytic turnover number (TON) to the fungal peroxygenase AaeUPO, the only known H2O2-dependent natural alkane hydroxylase. Moreover, when compared with evolved/engineered NADPH-dependent P 450 variants, the current system yielded similar or even better product formation rates (PFRs) but lower total TONs. The substitution of the highly conserved T268 with amino acids having hydrophobic side chains was identified to play critical roles in improving the hydroxylation activity of the DFSM-facilitated P450BM3 peroxygenase system, which is distinct from NADPH-dependent P 450 enzymes. These results offer useful insights into how to tune the catalytic functions and chem. of P 450 peroxygenases.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 4221-99-2, is researched, Molecular C4H10O, about Axially Chiral Trifluoromethylbenzimidazolylbenzoic Acid: A Chiral Derivatizing Agent for α-Chiral Primary Amines and Secondary Alcohols To Determine the Absolute Configuration, the main research direction is preparation axially chiral trifluoromethylbenzimidazolylbenzoic acid; chiral derivatizing agent Chiral primary secondary amine; Absolute Configuration; crystal structure Phenylethyltrifluoromethylbenzoimidazolylbenzamide.Name: (S)-Butan-2-ol.

Racemic 2-(2-trifluoromethyl)-1H-benzo[d]imidazol-1-ylbenzoic acid (TBBA) was synthesized in three steps from 1-fluoro-2-nitrobenzene. Target (P)- and (M)-TBBA atropisomers were stable with a racemization barrier above 30 kcal/mol. As a chiral derivatizing agent, TBBA showed much higher differences in chem. shifts (ΔδPM) than the conventional Mosher’s acid.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (S)-Butan-2-ol, is researched, Molecular C4H10O, CAS is 4221-99-2, about Room temperature chiral smectic C liquid crystal bearing paraphenylchclohexyl mesogenic core, the main research direction is liquid crystal bearing paraphenylchclohexyl mesogenic core crystallinity.HPLC of Formula: 4221-99-2.

Novel calamitic chiral liquid crystal (LC)was synthesized by introducing chiral butanol moiety into the para-phenylcyclohexyl mesogenic core. We confirmed the liquid crystallinity of chiral LC using DSC, POM and XRD measurements. The chiral LC shows a stable enantiomeric LC phase both cooling and heating procedure. It was found that the chiral LC exhibits a stable LC phase at room temperature In addition, the chiral LC was assigned as chiral smectic C(Sc*) phase with a tilted angle of 22.7°.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (S)-Butan-2-ol, is researched, Molecular C4H10O, CAS is 4221-99-2, about Conformer Pair Contributions to Optical Rotations in a Series of Chiral Linear Aliphatic Alcohols, the main research direction is chiral aliphatic alc conformer optical rotation absolute configuration.HPLC of Formula: 4221-99-2.

The chain length effect of four chiral aliphatic alcs., (S)-2-butanol, (S)-2-pentanol, (S)-2-hexanol and (S)-2-heptanol, on their specific optical rotations(OR) was studied exptl. and theor. via quantum theory. Many conformations of each chiral alc. exist as conformer pairs in solution The OR sum from these pairs of conformers has much smaller contributions to OR values than that contributed by the most stable conformation. These four alcs.’ OR values were also investigated using the matrix model, which employs each substituent’s comprehensive mass, radii, electronegativity and symmetry number as the elements in the matrix. These are all particle properties. This matrix determinant is proportional to its OR values within a closely related structural series of chiral compounds The exptl. OR values and the matrix determinants of these four alcs. were compared with the predicted OR values obtained from quantum theory wave functions. The ORs predicted by the matrix method, which is based on particle function statistics, agreed with the results from quantum theory. The agreement between OR predictions by the matrix method and DFT calculations illustrates the wave-particle duality of polarized light that is operating in these predictions.

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Reference:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem