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[ CAS No. 14691-88-4 ] {[proInfo.proName]}

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Chemical Structure| 14691-88-4
Chemical Structure| 14691-88-4
Structure of 14691-88-4 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations

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

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Product Details of [ 14691-88-4 ]

CAS No. :14691-88-4 MDL No. :MFCD00006479
Formula : C9H19N2O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 171.26 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 14691-88-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 52.49
TPSA : 29.26 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : -4.39
Log Po/w (XLOGP3) : 0.56
Log Po/w (WLOGP) : 0.93
Log Po/w (MLOGP) : 1.15
Log Po/w (SILICOS-IT) : 0.23
Consensus Log Po/w : -0.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.25
Solubility : 9.53 mg/ml ; 0.0556 mol/l
Class : Very soluble
Log S (Ali) : -0.75
Solubility : 30.7 mg/ml ; 0.179 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.96
Solubility : 18.7 mg/ml ; 0.109 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.92

Safety of [ 14691-88-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 14691-88-4 ]

* 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.

  • Downstream synthetic route of [ 14691-88-4 ]

[ 14691-88-4 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 14691-88-4 ]
  • [ 99970-84-0 ]
  • 4,4,'-di(2,2,6,6-tetramethylpiperidin-1-oxyl)diimino-2,2'-bipyridine [ No CAS ]
  • 2
  • [ 6964-21-2 ]
  • [ 14691-88-4 ]
  • 4-thienylacetyl-amino-2,2,6,6-tetramethylpiperidinyl-1-yloxyl [ No CAS ]
YieldReaction ConditionsOperation in experiment
73.3% With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at -10 - 20℃;Inert atmosphere; The monomer TATEMPO was synthesized according to the procedures shown in Scheme 1. A round-bottom flask was filled with 2-(thiophene-3-yl)acetic acid (1.79 g), 4-amino-TEMPO (2.15 g), 1-ethyl-3-(3-dimethyllaminopropyl)carbodiimide hydrochloride (EDCl) (2.40 g) and 4-dimethylaminopyridine (DMAP)(1.53 g).Dichloromethane (50mL) was then added. Subsequently, the content of the flask was stirred at-10C under nitrogen atmosphere. Then triethylamine (Et3N) (1.26g) was added dropwise to the above mixture. After addition, the mixture was warmed to room temperature and stirred overnight. The reaction product was washed with dilute hydrochloric acid and saturated sodium carbonate respectively three times and the organic layer dried over sodium sulfate. The resulting product TATEMPO was obtained by column chromatography on silica gel in 73.3% yield.
  • 3
  • [ 51991-94-7 ]
  • [ 14691-88-4 ]
  • (2,2,6,6-tetramethyl-4-[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-yl)carbonyl]amino}piperidin-1-yl)oxidanyl [ No CAS ]
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