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[ CAS No. 605-32-3 ] {[proInfo.proName]}

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Chemical Structure| 605-32-3
Chemical Structure| 605-32-3
Structure of 605-32-3 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations

Kerr, Emily ;

Abstract: The transition away from fossil-fuel-based electricity production is critical for cutting the emissions of climate change causing carbon dioxide emissions. Renewable energy sources, including solar and wind energy, are now cost-competitive with fossil fuels. This has generated serious interest in energy storage technologies to help manage the intermittency of these energy sources. Redox flow batteries provide a promising technology for providing grid-scale energy storage. Chapter 1 describes the current state of renewable energy and energy storage in electricity generation. The design and current state of redox flow batteries are discussed. Chapter 2 details the synthesis and characterization of a new anthraquinone, 2,6- D2PEAQ. A novel method of installing branched side chains to improve the aqueous solubility of anthraquinones is presented. Cell studies demonstrating a daily capacity fade of

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Product Details of [ 605-32-3 ]

CAS No. :605-32-3 MDL No. :MFCD00027374
Formula : C14H8O3 Boiling Point : -
Linear Structure Formula :- InChI Key :GCDBEYOJCZLKMC-UHFFFAOYSA-N
M.W : 224.21 Pubchem ID :11796
Synonyms :
2-hydroxy-9,10-Anthraquinone;NSC 2595;β-Hydroxyanthraquinone;2-hATQ
Chemical Name :2-Hydroxyanthracene-9,10-dione

Calculated chemistry of [ 605-32-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 61.77
TPSA : 54.37 ?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) : -5.08 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.59
Log Po/w (XLOGP3) : 3.64
Log Po/w (WLOGP) : 2.17
Log Po/w (MLOGP) : 1.25
Log Po/w (SILICOS-IT) : 3.05
Consensus Log Po/w : 2.34

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.05
Solubility : 0.0202 mg/ml ; 0.00009 mol/l
Class : Moderately soluble
Log S (Ali) : -4.47
Solubility : 0.00759 mg/ml ; 0.0000339 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.67
Solubility : 0.00474 mg/ml ; 0.0000211 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.15

Safety of [ 605-32-3 ]

Signal Word:Danger Class:9
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P362+P364-P403+P233-P501 UN#:3077
Hazard Statements:H315-H318-H335-H411 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 605-32-3 ]

* 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 [ 605-32-3 ]

[ 605-32-3 ] Synthesis Path-Downstream   1~20

  • 1
  • [ 67-56-1 ]
  • [ 605-32-3 ]
  • [ 3274-20-2 ]
  • 2
  • [ 107-10-8 ]
  • [ 605-32-3 ]
  • 2-hydroxy-anthraquinone; propylamine salt [ No CAS ]
  • 3
  • [ 56-23-5 ]
  • 2-hydroxy-2,4a-dihydro-anthraquinone [ No CAS ]
  • [ 605-32-3 ]
  • [ 434-85-5 ]
  • 4
  • [ 85-44-9 ]
  • [ 108-95-2 ]
  • [ 605-32-3 ]
  • [ 129-43-1 ]
  • 5
  • [ 118-29-6 ]
  • [ 605-32-3 ]
  • <i>N</i>-(2-hydroxy-9,10-dioxo-9,10-dihydro-[1]anthrylmethyl)-phthalimide [ No CAS ]
  • [ 858011-51-5 ]
  • 6
  • [ 64-17-5 ]
  • [ 605-32-3 ]
  • [ 61219-62-3 ]
  • 7
  • [ 909878-64-4 ]
  • [ 605-32-3 ]
  • 4-hydroxy-7-oxo-7<i>H</i>-benz[<i>de</i>]anthracene-3-carboxylic acid [ No CAS ]
  • 8
  • [ 69-65-8 ]
  • [ 605-32-3 ]
  • 4-hydroxy-7-oxo-7<i>H</i>-benz[<i>de</i>]anthracene-3-carboxylic acid [ No CAS ]
  • 9
  • [ 57-48-7 ]
  • [ 605-32-3 ]
  • 4-hydroxy-7-oxo-7<i>H</i>-benz[<i>de</i>]anthracene-3-carboxylic acid [ No CAS ]
  • 10
  • [ 50-99-7 ]
  • [ 605-32-3 ]
  • 4-hydroxy-7-oxo-7<i>H</i>-benz[<i>de</i>]anthracene-3-carboxylic acid [ No CAS ]
  • 11
  • [ 67-66-3 ]
  • [ 605-32-3 ]
  • [ 860732-92-9 ]
  • 13
  • [ 623-11-0 ]
  • 2-hydroxy-2,4a-dihydro-anthraquinone [ No CAS ]
  • [ 605-32-3 ]
  • [ 72-48-0 ]
  • 14
  • [ 605-32-3 ]
  • [ 82-44-0 ]
  • 1,2'-oxy-di-anthraquinone [ No CAS ]
Reference: [1]Patent: DE216268,
  • 15
  • [ 605-32-3 ]
  • [ 131-09-9 ]
  • [ 187729-11-9 ]
  • 18
  • [ 605-32-3 ]
  • [ 613-14-9 ]
YieldReaction ConditionsOperation in experiment
93% With sodium tetrahydroborate; sodium carbonate; In isopropyl alcohol; for 0.333333h;Heating; NaBH4 (3.8 g, 100 mmol) was dissolved in 1M Na2CO3 (150 mL) in a large beaker (2 L), isopropanol (25 mL) was added and the resulting solution was heated to boiling point. Then solution of hydroxyanthraquinone 6 (2.5 g, 10 mmol) in 1M Na2CO3 (50 mL) was added portionwise with vigorous stirring and breaking the foam with a glass rod. The reaction mixture was heated at boiling point for 20 min, cooled to rt and acidified with 3M HCl. The product was filtered and washed thoroughly with water and finally dried in evacuated dessicator over KOH for 2 days to afford the product (2 g, 93%) in the form of yellow solid. The product was pure enough for the next step, no purification was needed.
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