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[ CAS No. 63525-48-4 ] {[proInfo.proName]}

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Chemical Structure| 63525-48-4
Chemical Structure| 63525-48-4
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Product Citations

Product Citations

Dongyang Zhu ; Yifan Zhu ; Qianqian Yan , et al. DOI:

Abstract: Covalent organic frameworks (COFs) are crystalline organic materials of interest for a wide range of applications due to their porosity, tunable architecture, and precise chemistry. However, COFs are typically produced in powder form and are difficult to process. Herein, we report a simple and versatile approach to fabricate macroscopic, crystalline COF gels and aerogels. Our method involves the use of dimethyl sulfoxide as a solvent and acetic acid as a catalyst to first produce a COF gel. The COF gel is then washed, dried, and reactivated to produce a pure macroscopic, crystalline, and porous COF aerogel that does not contain any binders or additives. We tested this approach for six different imine COFs and found that the crystallinities and porosities of the COF aerogels matched those of COF powders. Electron microscopy revealed a robust hierarchical pore structure, and we found that the COF aerogels could be used as absorbents in oil–water separations, for the removal of organic and inorganic micropollutants, and for the capture and retention of iodine. This study provides a versatile and simple approach for the fabrication of COF aerogels and will provide novel routes for incorporating COFs in applications that require macroscopic, porous materials.

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Product Details of [ 63525-48-4 ]

CAS No. :63525-48-4 MDL No. :MFCD11521314
Formula : C8H4Br2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :VSUKSWCSOBXUFG-UHFFFAOYSA-N
M.W : 291.92 Pubchem ID :12353544
Synonyms :

Calculated chemistry of [ 63525-48-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.62
TPSA : 34.14 ?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) : -6.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.68
Log Po/w (XLOGP3) : 2.23
Log Po/w (WLOGP) : 2.84
Log Po/w (MLOGP) : 2.21
Log Po/w (SILICOS-IT) : 3.49
Consensus Log Po/w : 2.49

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.29
Solubility : 0.149 mg/ml ; 0.00051 mol/l
Class : Soluble
Log S (Ali) : -2.58
Solubility : 0.764 mg/ml ; 0.00262 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.99
Solubility : 0.0298 mg/ml ; 0.000102 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.54

Safety of [ 63525-48-4 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 63525-48-4 ]

* 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 [ 63525-48-4 ]

[ 63525-48-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6964-21-2 ]
  • [ 69620-20-8 ]
  • [ 63525-48-4 ]
  • bis(2-octyldecyl)anthra[1,2-b:5,6-b’]dithiophene-4,10-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
10% In a 100 ml flask, with a magnetic stirrer, thermometer and coolant, in an inert atmosphere, 2,5-dibromobenzene-1 ,4-dicarbaldehyde having formula (IV) obtained as described in Example 2 (0.292 g; 1.0 mmol) and potassium carbonate (K2CO3) (Aldrich) (0.691 g; 5.0 mmol) were added to a mixture of <strong>[6964-21-2]3-thiopheneacetic acid</strong> [heteroaryl compound having general formula (V) wherein Y = oxygen and Z = sulfur] (Aldrich) (0.312 g; 2.2 mmol), triphenylphosphine (Aldrich) (0.026 g; 0.1 mmol), palladium(ll)acetate (0233) [Pd(OAc)2] (0.112 g; 0.5 mmol) in L/,/V-dimethylformamide anhydrous (DMF) (Aldrich) (5 ml): the resulting reaction mixture was heated to 80C and maintained under stirring, at said temperature, for 24 hours. Subsequently, 1 -bromo-2-octyldodecane (Aldrich) [alkyl halide having general formula (VI) wherein R1 = 2-octyldodecyl and X - bromine] (0.672 g; 2.2 mmol) was added in a single portion: the reaction mixture obtained was left, under stirring, at 80C, for 24 hours. Subsequently, after cooling to room temperature (25C), the reaction mixture was placed in a 500 ml separator funnel: a solution of ammonium chloride (NH4CI) 0.1 M (Aldrich) (3 x 100 ml) was added to said reaction mixture and everything was extracted with ethyl acetate (Aldrich) (3 x 100 ml) obtaining an aqueous phase and an organic phase. The entire organic phase (obtained by joining the organic phases deriving from the three extractions) was separated and subsequently anhydrified on sodium sulfate (Aldrich) and evaporated. The residue obtained is purified through elution on a silica gel chromatography column [(eluent: n-heptane/ethylacetate 98/2) (Carlo Erba)], obtaining 0.083 g of bis(2-hexyldecyl)anthra[1 ,2-b:5,6-b’]dithiophene-4, 10- dicarboxylate having formula (la) as a white solid (yield 10%).
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Technical Information

? Alkyl Halide Occurrence ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Julia-Kocienski Olefination ? Kinetics of Alkyl Halides ? Knoevenagel Condensation ? Kumada Cross-Coupling Reaction ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mukaiyama Aldol Reaction ? Nozaki-Hiyama-Kishi Reaction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Dihalides ? Reformatsky Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Stetter Reaction ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
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