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Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
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Structure of 448-60-2
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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.
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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'.
CAS No. : | 448-60-2 |
Formula : | C24H15F3 |
M.W : | 360.37 |
SMILES Code : | FC1=CC=C(C2=CC(C3=CC=C(F)C=C3)=CC(C4=CC=C(F)C=C4)=C2)C=C1 |
MDL No. : | MFCD21365089 |
InChI Key : | VEFYJLJMXLVIOZ-UHFFFAOYSA-N |
Pubchem ID : | 348151 |
GHS Pictogram: |
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Signal Word: | Danger |
Hazard Statements: | H303-H318-H413 |
Precautionary Statements: | P273-P280-P305+P351+P338-P310-P501 |
Class: | 8 |
UN#: | 1759 |
Packing Group: | Ⅲ |
* 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 |
---|---|---|
95% | With para-dodecylbenzenesulfonic acid; In neat (no solvent); at 130℃; for 4.0h;Green chemistry; | General procedure: A mixture of acetophenone (3 mmol) and DBSA (0.6 mmol) was heated at 130 C in a preheated oil bath for 3-8 hours. After completion of the reaction as indicated by thin layer chromatography (TLC), the reaction mixture was cooled to room temperature and diluted with equal volumes of saturated solution of NaHCO3 and brine (5 mL + 5 mL). The resulting solution was extracted with ethyl acetate (10 mL × 3) and the organic layers were combined, dried over anhydrous Na2SO4 and evaporated under reduced pressure to dryness. The crude product obtained was purified by silica gel (60-120 mesh size) column chromatography using 1-2% ethyl acetate in heptane as the eluent to afford the desired products in pure form. |
92% | With ethylenediamine; trifluoroacetic acid; In nitromethane; for 36.0h;Reflux; | General procedure: To a solution of aryl methyl ketone (1, 1.5mmol) in dry nitromethane (1.5mL) was added trifluoroacetic acid (0.045 mL, 0.6mmol) and ethylenediamine (0.020 mL, 0.3mmol). The mixture was stirred at reflux and detected by TLC. After completion of the reaction, the reaction mixture was cooled to room temperature, quenched with saturated NH4Cl, extracted with Ethyl acetate. Combined organic layers were washed with brine, dried over Na2SO4, and concentrated. The residue was purified by silica gel column chromatography to give product 2. |
83% | With sulfated tungstate; In neat (no solvent); at 130℃; for 10.0h; | General procedure: In round bottom flask equipped with condenser a mixture of aryl alkyl ketones (3mmol) and sulfated tungstate (20 wt. %) were stirred at 130 C, the progress of the reaction was monitored by TLC. After disapperance of the aryl alkyl ketones and the reaction was continued for additional time of 2 h. The reaction mixture was cooled, diluted with 30 mL of ethyl acetate and filtered to recover the catalyst. The filtrate was washed with 10 mL of water, dried over sodium sulfate and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel ( 60-120) with (PE:EA=9:1) as eluent to get pure 1,3,5-arylenzenes. |
65% | With iodine; 1,2-diamino-benzene; In chlorobenzene; at 120℃; for 12.0h;Sealed tube; | General procedure: Acetophenone 1 (1mmol), 2-amino aniline 2a (108mg, 1mmol), I2 (13mg, 5mol%), PhCl (3 mL) were added to a reaction tube. The reaction mixture was stirred in a sealed tube at 120 C for 12 h. The reaction was monitored by TLC. Once the reaction was completed, the reaction mixture was treated with H2O (15.0 mL) and EtOAc (8.0 mL). The organic phase was then separated, and the aqueous phase was extracted with EtOAc (3 x 8 mL). The combined organic phase was dried over Na2SO4, then the solvent was removed under a reduced pressure and the remaining residue was purified by column chromatography. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With N-[3-(trimethoxysilyl)propyl]-N.N.N-trimethylammonium chloride; tetraethoxy orthosilicate; cetyltrimethylammonim bromide; sodium 4-dodecylbenzenesulfonate; In methanol; propan-1-ol; water; at 60℃; for 1.0h; | General procedure: The above microemulsion of the substrate, together with immobilized rhodium catalyst (15mg RhCl3), were placed in either an autoclave or in a pressure vessel and heated with stirring to the desired temperature for the required length of time. The reaction vessel was cooled to room temperature and the mixture was filtered. The filtrate was treated with NaCl (2g), which caused the mixture to separate into two phases. The sol-gel material, as well as the aqueous layer, were extracted with CH2Cl2 (2× 10ml) to ensure complete removal of the products. The combined organic solutions were dried (MgSO4), concentrated and analyzed both by GC and 1H NMR and compared with authentic samples. The heterogenized catalyst was dried at 80C and 0.1Torr for 5h in order to be ready for use in the next run. | |
With C15H23Cl2FeN3; ethylmagnesium bromide; In tetrahydrofuran; at 20℃; for 16.0h;Inert atmosphere; Glovebox; Sealed tube; | General procedure: To a stirred solution of catalyst 1 in THF (1mL), alkyne (0.5mmol) and then EtMgBr (11mol%, 1M in THF) was charged in PTFE screw-capped reaction vial equipped with a stirrer bar inside the glovebox. Then, the reaction mixture was brought outside and stirred at room temperature. Progress of the reaction was monitored by GC, which indicated the completion of the reaction in specified time. The reaction mixture was quenched by exposing it to the open atmosphere. The solvent was evaporated under reduced pressure and the residue was purified by column chromatography to provide cyclotrimerized product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
29%; 9%; 47%; 15% | With [(bis(diisopropylphosphino)ethane)Ni(H)]2; In toluene; at 50℃; under 7757.43 Torr; for 69.0h; | General procedure: [(dippe)Ni(m-H)]2 (1) (0.031 mmol) and the correspondingalkyne (0.311 mmol) and toluene (10 mL) were charged in a100-mL Parr reactor. On reacting 1 with all acetylenes, a colorchange from wine red to brown was observed with a lightbubbling; the reactor was immediately closed and then pressurizedout of the dry box with CO2 (150 psi). Afterward, thereaction vessel was heated up to 50 C for 69 h. After this time,the reactor was cooled down to room temperature and ventedinto a hood; the reaction mixture was directly analyzed by GCMS. |
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