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In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. In an article, author is Rao, NS, once mentioned the application of 766-97-2, Name is 1-Ethynyl-4-methylbenzene, molecular formula is C9H8, molecular weight is 116.16, MDL number is MFCD00008571, category is thiomorpholine. Now introduce a scientific discovery about this category, SDS of cas: 766-97-2.

The natural abundance N-15-NMR chemical shifts of selected aliphatic amines, 2-substituted pyridine type compounds, bialicyclic tertiary amines have been measured as a function of the nature of the solvent. In the case of cyclic aliphatic amines, like piperidine, morpholine, piperazine, thiomorpholine, the nitrogen is more shielded in concentrated solution compared to that in dilute solution whereas in the hydrogen bonding and protonating solvents there is a prominent deshielding. 2-Substituted pyridines studied can be further divided into four sub groups. The site of hydrogen bonding and protonation in 2-amino, 2-hydroxy and 2-mercapto pyridines have been conclusively proved from the N-15-NMR chemical shifts and the well-known tautomeric forms of the above compounds. Similarly in the case of 2-(2-thienyl)pyridine and 2-(3-thienyl)pyridine, the site of donation has been proved as the nitrogen of the pyridine ring in both the compounds. In a similar manner, the site of hydrogen bonding and protonation in two individual compounds 2-anilinopyridine and 2-(2-pyridyl)benzimidazole have also been established. Among the bialicyclic amines, 1,2-diazabicyclo[2.2.2]octane (DABCO) behaved differently from the other two compounds. In both 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 1,5-diazabicyclo[4.3.0]non-5-ene (DBN), it was possible to show that N-1-nitrogen in both the compounds is the site of donation. The effect of the second donor site on the N-15-NMR chemical shift, the site of donation in the selected compounds and some typical compounds reported in literature have been presented and discussed. (C) 2002 Elsevier Science B.V. All rights reserved.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

 

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Healthcare careers for chemists are once again largely based in laboratories, although increasingly there is opportunity to work at the point of care, helping with patient investigation. 766-97-2, Name is 1-Ethynyl-4-methylbenzene, molecular formurla is C9H8. In a document, author is Michniak, BB, introducing its new discovery. COA of Formula: https://www.ambeed.com/products/766-97-2.html.

Dermal penetration enhancers were evaluated (14) using diffusion cell techniques, hairless mouse skin and hydrocortisone as the model drug. The following were synthesized: 1-dodecanoylpiperidine (1), 1-dodecanoylpyrrolidine (2), 1-dodecanoyl-2-piperidinone (3), 1-dodecanoyl-2-pyrrolidinone (4), 2-decylcyclohexanone (5), 2-decylcyclopentanone (6), 4-(dodecanoyl)-thiomorpholine (7), N,N-didodecylacetamide (8) and N-dodecyltricyclo [3.3.1.1(3,7)]decane-1-carboxamide (11). N-Acetylcaprolactam (9), 4-acetylmorpholine (10) and N-dodecylpyrrolidinone (13) were purchased. The syntheses of Azone, N-(1-oxododecyl)morpholine (12) and N-dodecyl-2-piperidinone (14) have been reported previously. Enhancers were applied at 0.4 M in propylene glycol (PG) (or as a suspension) to mouse skin. Hydrocortisone (0.03 M in PG) was applied 1 h following enhancer treatment. Controls (no pretreatment) yielded 24 h diffusion cell receptor concentrations (Q(24)) of 9.93 +/- 3.15 mu M and model drug skin retention of 26.1 +/- 5.6 mu g g(-1). Compound 7 yielded a high Q(24) of 208.18 +/- 39.52 mu M. The highest skin retention was observed with 6 of 566.7 +/- 39.7 mu g g(-1). Azone gave values of 218.96 +/- 47.84 mu M for Q(24) and 294.9 +/- 66.7 mu g g(-1) for skin retention. Compounds 13 and 14 gave Q(24) values of 274.44 +/- 50.90 and 220.21 +/- 59.63 mu M and skin retention values of 226.5 +/- 51.8 and 259.0 +/- 62.2 mu g g(-1), respectively. (C) 1998 Elsevier Science B.V.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

 

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Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. In an article, author is Clifford, Sarah E., once mentioned the application of 766-97-2, Name is 1-Ethynyl-4-methylbenzene, molecular formula is C9H8, molecular weight is 116.16, MDL number is MFCD00008571, category is thiomorpholine. Now introduce a scientific discovery about this category, Electric Literature of 766-97-2.

Complexation of the symmetric cyclic diamine piperazine (1,4-diazacyclohexane) has been examined in dry dimethyl formamide by spectrophotometric titrations (with Cu2+, Ni2+) to define formation constants, and by stopped-flow kinetics to define the complexation rates and reaction pathway. Initial formation of a rarely observed eta(1)-piperazine intermediate occurs in a rapid second-order reactions. This intermediate then undergoes two competing reactions: formation of (chelated) eta(2)-piperazine (ML) or the formation of (bridging) mu-piperazine (in M2L and M2L3, speciation depending on relative concentrations). Protonation constants and formation constants for complexation in water of N-ethylpiperazine and thiomorpholine (1-aza-4-thiocyclohexane, tm) have been determined by potentiometric titration; 1:1 complexes with first-row M2+ display a log K from similar to 4 to 6, with speciation that suggests chelation of the heterocycles may be involved. Complexation of thiomorpholine has been further probed by the synthesis of Pd-II complexes. The N-monodentate coordination mode has been confirmed in trans-[Pd(tm)(2)Br-2] by an X-ray crystal structure. Complexation of N-(2-aminoethyl)piperazine to Cu-II as a bidentate ligand involving the primary and tertiary amines is also defined by an X-ray crystal structure.

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Thiomorpholine – Wikipedia,
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Being used for the extraction from an aqueous to an organic phase thiomorpholine substituted all-homo-calix[6]arene 1 turns out to be more efficient and much more selective for Pd-II than the corresponding calix[6]arene 2 and a comparable open-chained compound 3.

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Thiomorpholine – Wikipedia,
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As a society publisher, everything we do is to support the scientific community – so you can trust us to always act in your best interests, and get your work the international recognition that it deserves., HPLC of Formula: https://www.ambeed.com/products/766-97-2.html, 766-97-2, Name is 1-Ethynyl-4-methylbenzene, molecular formula is C9H8, belongs to thiomorpholine compound. In a document, author is Freitas, Vera L. S., introduce the new discover.

The influence of the heteroatoms in the conformational, energetic, and reactivity trends exhibited by morpholine and thiomorpholine isosteres was obtained from computational and experimental thermochemical studies. For those purposes, the gas-phase standard (p = 0.1 MPa) molar enthalpies of formation of the compounds, at T = 298.15 K, were determined from the experimental values of the standard molar. enthalpies of formation, in the liquid phase, and of the standard molar: enthalpies of vaporization, obtained by calorimetric techniques, and also from composite G3(MP2)// B3LYP calculations making use of appropriate working reactions. A very good agreement was found between the calculated and the experimental gas-phase enthalpies of formation. The computational study was further extended to the calculation of other gas-phase thermodynamic properties these compounds, namely, the N-H or C-H bond dissociation enthalpies, gas-phase acidities and basicitics, proton affinities and adiabatic ionization enthalpies, and the energies and structures of the conformational stereoisomers of morpholine and thiomorpholine.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

 

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Application of 766-97-2, New discoveries in chemical research and development in 2021.The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 766-97-2, Name is 1-Ethynyl-4-methylbenzene, SMILES is CC1=CC=C(C#C)C=C1, molecular formula is C9H8, belongs to thiomorpholine compound. In an article, author is Clifford, Sarah E., introduce new discover of the category.

Complexation of the symmetric cyclic diamine piperazine (1,4-diazacyclohexane) has been examined in dry dimethyl formamide by spectrophotometric titrations (with Cu2+, Ni2+) to define formation constants, and by stopped-flow kinetics to define the complexation rates and reaction pathway. Initial formation of a rarely observed eta(1)-piperazine intermediate occurs in a rapid second-order reactions. This intermediate then undergoes two competing reactions: formation of (chelated) eta(2)-piperazine (ML) or the formation of (bridging) mu-piperazine (in M2L and M2L3, speciation depending on relative concentrations). Protonation constants and formation constants for complexation in water of N-ethylpiperazine and thiomorpholine (1-aza-4-thiocyclohexane, tm) have been determined by potentiometric titration; 1:1 complexes with first-row M2+ display a log K from similar to 4 to 6, with speciation that suggests chelation of the heterocycles may be involved. Complexation of thiomorpholine has been further probed by the synthesis of Pd-II complexes. The N-monodentate coordination mode has been confirmed in trans-[Pd(tm)(2)Br-2] by an X-ray crystal structure. Complexation of N-(2-aminoethyl)piperazine to Cu-II as a bidentate ligand involving the primary and tertiary amines is also defined by an X-ray crystal structure.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

 

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Chemical Research Letters, May 2021. Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media. 766-97-2, Name is 1-Ethynyl-4-methylbenzene, molecular formurla is C9H8. In a document, author is Michniak, BB, introducing its new discovery. Category: thiomorpholine.

Dermal penetration enhancers were evaluated (14) using diffusion cell techniques, hairless mouse skin and hydrocortisone as the model drug. The following were synthesized: 1-dodecanoylpiperidine (1), 1-dodecanoylpyrrolidine (2), 1-dodecanoyl-2-piperidinone (3), 1-dodecanoyl-2-pyrrolidinone (4), 2-decylcyclohexanone (5), 2-decylcyclopentanone (6), 4-(dodecanoyl)-thiomorpholine (7), N,N-didodecylacetamide (8) and N-dodecyltricyclo [3.3.1.1(3,7)]decane-1-carboxamide (11). N-Acetylcaprolactam (9), 4-acetylmorpholine (10) and N-dodecylpyrrolidinone (13) were purchased. The syntheses of Azone, N-(1-oxododecyl)morpholine (12) and N-dodecyl-2-piperidinone (14) have been reported previously. Enhancers were applied at 0.4 M in propylene glycol (PG) (or as a suspension) to mouse skin. Hydrocortisone (0.03 M in PG) was applied 1 h following enhancer treatment. Controls (no pretreatment) yielded 24 h diffusion cell receptor concentrations (Q(24)) of 9.93 +/- 3.15 mu M and model drug skin retention of 26.1 +/- 5.6 mu g g(-1). Compound 7 yielded a high Q(24) of 208.18 +/- 39.52 mu M. The highest skin retention was observed with 6 of 566.7 +/- 39.7 mu g g(-1). Azone gave values of 218.96 +/- 47.84 mu M for Q(24) and 294.9 +/- 66.7 mu g g(-1) for skin retention. Compounds 13 and 14 gave Q(24) values of 274.44 +/- 50.90 and 220.21 +/- 59.63 mu M and skin retention values of 226.5 +/- 51.8 and 259.0 +/- 62.2 mu g g(-1), respectively. (C) 1998 Elsevier Science B.V.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

 

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Quality Control of 1-Ethynyl-4-methylbenzene, New discoveries in chemical research and development in 2021.The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 766-97-2, Name is 1-Ethynyl-4-methylbenzene, SMILES is CC1=CC=C(C#C)C=C1, molecular formula is C9H8, belongs to thiomorpholine compound. In an article, author is Freitas, Vera L. S., introduce new discover of the category.

The influence of the heteroatoms in the conformational, energetic, and reactivity trends exhibited by morpholine and thiomorpholine isosteres was obtained from computational and experimental thermochemical studies. For those purposes, the gas-phase standard (p = 0.1 MPa) molar enthalpies of formation of the compounds, at T = 298.15 K, were determined from the experimental values of the standard molar. enthalpies of formation, in the liquid phase, and of the standard molar: enthalpies of vaporization, obtained by calorimetric techniques, and also from composite G3(MP2)// B3LYP calculations making use of appropriate working reactions. A very good agreement was found between the calculated and the experimental gas-phase enthalpies of formation. The computational study was further extended to the calculation of other gas-phase thermodynamic properties these compounds, namely, the N-H or C-H bond dissociation enthalpies, gas-phase acidities and basicitics, proton affinities and adiabatic ionization enthalpies, and the energies and structures of the conformational stereoisomers of morpholine and thiomorpholine.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

 

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Chemical Research Letters, May 2021. Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media. 766-97-2, Name is 1-Ethynyl-4-methylbenzene, molecular formurla is C9H8. In a document, author is Rao, NS, introducing its new discovery. SDS of cas: 766-97-2.

The natural abundance N-15-NMR chemical shifts of selected aliphatic amines, 2-substituted pyridine type compounds, bialicyclic tertiary amines have been measured as a function of the nature of the solvent. In the case of cyclic aliphatic amines, like piperidine, morpholine, piperazine, thiomorpholine, the nitrogen is more shielded in concentrated solution compared to that in dilute solution whereas in the hydrogen bonding and protonating solvents there is a prominent deshielding. 2-Substituted pyridines studied can be further divided into four sub groups. The site of hydrogen bonding and protonation in 2-amino, 2-hydroxy and 2-mercapto pyridines have been conclusively proved from the N-15-NMR chemical shifts and the well-known tautomeric forms of the above compounds. Similarly in the case of 2-(2-thienyl)pyridine and 2-(3-thienyl)pyridine, the site of donation has been proved as the nitrogen of the pyridine ring in both the compounds. In a similar manner, the site of hydrogen bonding and protonation in two individual compounds 2-anilinopyridine and 2-(2-pyridyl)benzimidazole have also been established. Among the bialicyclic amines, 1,2-diazabicyclo[2.2.2]octane (DABCO) behaved differently from the other two compounds. In both 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 1,5-diazabicyclo[4.3.0]non-5-ene (DBN), it was possible to show that N-1-nitrogen in both the compounds is the site of donation. The effect of the second donor site on the N-15-NMR chemical shift, the site of donation in the selected compounds and some typical compounds reported in literature have been presented and discussed. (C) 2002 Elsevier Science B.V. All rights reserved.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

 

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Being used for the extraction from an aqueous to an organic phase thiomorpholine substituted all-homo-calix[6]arene 1 turns out to be more efficient and much more selective for Pd-II than the corresponding calix[6]arene 2 and a comparable open-chained compound 3.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem