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[ CAS No. 143-66-8 ] {[proInfo.proName]}

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Chemical Structure| 143-66-8
Chemical Structure| 143-66-8
Structure of 143-66-8 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations      Expand+

Chun-Lin Deng ; Akachukwu D. Obi ; Bi Youan E. Tra , et al. DOI: PubMed ID:

Abstract: Substitution of a C=C bond by an isoelectronic B-N bond is a well-established strategy to alter the electronic structure and stability of acenes. BN-substituted acenes that possess narrow energy gaps have attractive optoelectronic properties. However, they are susceptible to air and/or light. Here we present the design, synthesis and molecular structures of fully π-conjugated cationic BN-doped acenes stabilized by carbodicarbene ligands. They are luminescent in the solution and solid states and show high air and moisture stability. Compared with their neutral BN-substituted counterparts as well as the parent all-carbon acenes, these species display improved quantum yields and small optical gaps. The electronic structures of the azabora-anthracene and azabora-tetracene cations resemble higher-order acenes while possessing high photo-oxidative resistance. Investigations using density functional theory suggest that the stability and photo-physics of these conjugated systems may be ascribed to their cationic nature and the electronic properties of the carbodicarbene.

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Lukas Sommerauer ; Matthew Konkler ; Gerald Presley , et al. DOI:

Abstract: Bark residues from Douglas fir are an abundant resource that is currently used primarily in low-value energy recovery or is landfilled. Bark extractives are rich in diverse compounds like terpenes, fatty acids, phenols, and sugars with potential uses in a variety of high value applications. The study explores the potential of enzymatic hydrolysis to improve phenolic compounds from Douglas fir bark. It also assesses differences in chemical composition among rhytidome, phloem, and comingled bark fractions from an industrial waste pile. Phloem fractions exhibit higher yields of extractives, rhytidome fractions have elevated lignin levels, while the comingled fraction lies between the two except in ash content which was higher than in the separated fractions. Fungal decay tests with Gloeophyllum trabeum and Coniophora puteana on extract treated wood suggest potential for growth inhibition in extracts, about 58–31?% and 30–7% mass loss (in average) respectively, but due to high mass loss at low concentrations an enzymatic modification approach seems crucial for enhanced inhibition. Growth responses in whole-cell fermentation approach display variability depending on the participating microorganisms. Enzymatic hydrolysis with beta-glucosidase improved the antioxidant properties of bark extracts and holds promise for altering the chemical composition and enhancing bioactivity.

Keywords: antioxidant properties ; aqueous extract ; Douglas fir bark ; enzymatic hydrolysis ; organism growth responses

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Dhyllan A. Skiba ;

Abstract: Rechargeable metal-anode batteries are a promising post Li-ion battery development. However, the high reactivity of metallic anodes with the electrolyte results in the formation of a solid-electrolyte interphase (SEI). Electrolyte design is a key handle in controlling the SEI composition in metal-anode batteries, but our understanding of the electrolyte—specifically the cation’s first coordination sphere is limited. In this thesis, the study of ion solvation and complexation techniques are brought into the context of battery electrolytes. Relevant data from literature is summarized and supplemented with enthalpy of solution (ΔsolH) and enthalpy of transfer (ΔtrH) measurements for the Li-battery relevant salts, LiPF6 and LiTFSI, in a set of polar aprotic solvents. The trends observed are rationalized by consideration of solvent and anion properties, particularly the solvent donicity and anion size. To achieve a finer picture of the Li+ coordination sphere, isothermal titration calorimetry (ITC) and potentiometric titrations (PT) were employed with a set of exemplar electrolytes to probe the thermodynamic evolution of the Li+ coordination complex as weak solvent is displaced by a stronger solvent in the first coordination sphere. Raman spectroscopy is used to confirm that solvent displacement occurs as expected, and the effect of the anion on ITC measurements is investigated. A statistical binding model is developed which is fit to the experimental titration data to extract an average change in Gibbs free energy (ΔG), enthalpy (ΔH), and entropy (ΔS) of solvent displacement. Preferential solvation tendencies are quantified for EC:DMC and EC:PC electrolyte using this methodology, and compared with preferences observed by other workers. This thesis provides the framework for future studies on the thermodynamics of more complex battery electrolyte coordination environments and its connection with the SEI composition.

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Product Details of [ 143-66-8 ]

CAS No. :143-66-8 MDL No. :MFCD00011494
Formula : C24H20BNa Boiling Point : No data available
Linear Structure Formula :- InChI Key :HFSRCEJMTLMDLI-UHFFFAOYSA-N
M.W : 342.22 Pubchem ID :2723787
Synonyms :

Calculated chemistry of [ 143-66-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 110.06
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 7.1
Log Po/w (WLOGP) : 3.06
Log Po/w (MLOGP) : 6.27
Log Po/w (SILICOS-IT) : 4.82
Consensus Log Po/w : 4.25

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.85
Solubility : 0.0000479 mg/ml ; 0.00000014 mol/l
Class : Poorly soluble
Log S (Ali) : -6.92
Solubility : 0.0000413 mg/ml ; 0.000000121 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.97
Solubility : 0.0000000366 mg/ml ; 0.0000000001 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.85

Safety of [ 143-66-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H315-H319-H335 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 143-66-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 143-66-8 ]

[ 143-66-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 3764-01-0 ]
  • [ 143-66-8 ]
  • [ 2456-81-7 ]
  • 1,1',1''-(pyrimidin-2,4,6-triyl)-tris-4-(pyrrolidin-1-yl)pyridinium tris(tetraphenylborate) [ No CAS ]
  • 2
  • [ 143-66-8 ]
  • [ 2456-81-7 ]
  • [ 90845-52-6 ]
  • 5-chloro-2,6-bis-[4-(pyrrolidin-1-yl)pyridinio]-pyrimidine-4-(4-nitrophenyl)aminide tetraphenylborate [ No CAS ]
  • 3
  • [ 143-66-8 ]
  • [ 2456-81-7 ]
  • [ 74894-28-3 ]
  • 1,1'-(6-anilino-5-chloropyrimidine-2,4-diyl)-bis-[4-(pyrrolidin-1-yl)pyridinium] bis(tetraphenylborate) [ No CAS ]
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