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[ CAS No. 553-26-4 ] {[proInfo.proName]}

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Chemical Structure| 553-26-4
Chemical Structure| 553-26-4
Structure of 553-26-4 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations      Expand+

Diqing Yue ; Weilin Zhang ; Ivy Zhao , et al. DOI:

Abstract: Nonaqueous flow batteries hold promise given their high cell voltage and energy density, but their performance is often plagued by the crossover of redox compounds. In this study, we used permselective lithium superionic conducting (LiSICON) ceramic membranes to enable reliable long-term use of organic redox molecules in nonaqueous flow cells. With different solvents on each side, enhanced cell voltages were obtained for a flow battery using viologen-based negolyte and TEMPO-based posolyte molecules. The thermoplastic assembly of the LiSICON membrane realized leakless cell sealing, thus overcoming the mechanical brittleness challenge. As a result, stable cycling was achieved in the flow cells, which showed good capacity retention over an extended test time.

Keywords: nonaqueous flow battery ; organic ; permselectivity ; LiSICON ; stability

Purchased from AmBeed: ; ;

Jang, Mingyeong ; Lim, Taeho ; Park, Byoung Yong , et al. DOI: PubMed ID:

Abstract: In this study, we developed a metal-free and highly chemoselective method for the reduction of aromatic nitro compounds. This reduction was performed using tetrahydroxydiboron [B2(OH)4] as the reductant and 4,4'-bipyridine as the organocatalyst and could be completed within 5 min at room temperature. Under optimal conditions, nitroarenes with sensitive functional groups, such as vinyl, ethynyl, carbonyl, and halogen, were converted into the corresponding anilines with excellent selectivity while avoiding the undesirable reduction of the sensitive functional groups.

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Product Details of [ 553-26-4 ]

CAS No. :553-26-4 MDL No. :MFCD00006416
Formula : C10H8N2 Boiling Point : No data available
Linear Structure Formula :(NC5H4)(C5H4N) InChI Key :MWVTWFVJZLCBMC-UHFFFAOYSA-N
M.W : 156.18 Pubchem ID :11107
Synonyms :
Chemical Name :4,4'-Bipyridine

Calculated chemistry of [ 553-26-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.47
TPSA : 25.78 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.34 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.46
Log Po/w (XLOGP3) : 1.28
Log Po/w (WLOGP) : 2.14
Log Po/w (MLOGP) : 0.91
Log Po/w (SILICOS-IT) : 2.55
Consensus Log Po/w : 1.67

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.29
Solubility : 0.803 mg/ml ; 0.00514 mol/l
Class : Soluble
Log S (Ali) : -1.42
Solubility : 5.93 mg/ml ; 0.0379 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -4.16
Solubility : 0.0109 mg/ml ; 0.00007 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.03

Safety of [ 553-26-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P264-P270-P301+P310+P330-P405-P501 UN#:2811
Hazard Statements:H301 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 553-26-4 ]

* 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.

  • Upstream synthesis route of [ 553-26-4 ]
  • Downstream synthetic route of [ 553-26-4 ]

[ 553-26-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 553-26-4 ]
  • [ 100-44-7 ]
  • [ 1102-19-8 ]
Reference： [1] Journal of Physical Chemistry, 1984, vol. 88, # 24, p. 5951 - 5956
[2] Molecular Crystals and Liquid Crystals (1969-1991), 1990, vol. 190, p. 259 - 264
[3] Journal of the American Chemical Society, 1981, vol. 103, # 18, p. 5333 - 5336
[4] Journal of physical chemistry, 1988, vol. 92, # 9, p. 2592 - 2597
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