Structure of 63525-48-4
*Storage: {[sel_prStorage]}
*Shipping: {[sel_prShipping]}
The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
4.5
*For Research Use Only !
Change View
Size | Price | VIP Price | US Stock |
Global Stock |
In Stock | ||
{[ item.pr_size ]} |
Inquiry
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.discount_usd) ]} {[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} |
Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]} | Inquiry {[ item.pr_usastock ]} In Stock Inquiry - | {[ item.pr_chinastock ]} {[ item.pr_remark ]} In Stock 1-2 weeks - Inquiry - | Login | - + | Inquiry |
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
1-2weeks
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price, item.pr_usd) ]}
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
In Stock
- +
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Pure Crystalline Covalent Organic Framework Aerogels
Dongyang Zhu ; Yifan Zhu ; Qianqian Yan ; Morgan Barnes ; Fangxin Liu ; Pingfeng Yu , et al.
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.
Show More >
CAS No. : | 63525-48-4 |
Formula : | C8H4Br2O2 |
M.W : | 291.92 |
SMILES Code : | BrC1=CC(C=O)=C(Br)C=C1C=O |
MDL No. : | MFCD11521314 |
InChI Key : | VSUKSWCSOBXUFG-UHFFFAOYSA-N |
Pubchem ID : | 12353544 |
GHS Pictogram: |
![]() |
Signal Word: | Warning |
Hazard Statements: | H302 |
Precautionary Statements: | P280-P305+P351+P338 |
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 ? Topological Polar Surface Area: Calculated from |
34.14 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
1.68 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
2.23 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
2.84 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
2.21 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
3.49 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
2.49 |
Log S (ESOL):? ESOL: Topological method implemented from |
-3.29 |
Solubility | 0.149 mg/ml ; 0.00051 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-2.58 |
Solubility | 0.764 mg/ml ; 0.00262 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-3.99 |
Solubility | 0.0298 mg/ml ; 0.000102 mol/l |
Class? Solubility class: Log S scale |
Soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
High |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
Yes |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
Yes |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
No |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
No |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-6.5 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
Ghose? Ghose filter: implemented from |
None |
Veber? Veber (GSK) filter: implemented from |
0.0 |
Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
Muegge? Muegge (Bayer) filter: implemented from |
0.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
1.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<0.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.54 |
* 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.
Yield | Reaction Conditions | Operation 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%). |