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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+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
Structure of 2024-83-1
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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. : | 2024-83-1 |
Formula : | C9H9NO2 |
M.W : | 163.17 |
SMILES Code : | COC1=C(OC)C=C(C=C1)C#N |
MDL No. : | MFCD00001802 |
InChI Key : | OSEQIDSFSBWXRE-UHFFFAOYSA-N |
Pubchem ID : | 74842 |
GHS Pictogram: |
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Signal Word: | Danger |
Hazard Statements: | H302+H312-H315-H319-H331-H335 |
Precautionary Statements: | P261-P280-P305+P351+P338-P311 |
Class: | 6.1 |
UN#: | 3439 |
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 |
---|---|---|
58% | With copper (II)-fluoride; 1,10-Phenanthroline; oxygen; lithium carbonate; In dimethyl sulfoxide; at 150℃; for 36h;Sealed tube; | General procedure: Under Oxygen, a reaction tube was charged with p-iodoanisole (46.3 mg, 0.2 mmol), urea (48.0 mg, 0.8 mmol), CuF2 (4.1 mg, 0.04 mmol), L1 (10.8 mg, 0.06 mmol), Li2CO3 (44.3 mg, 0.6mmol) and DMSO (2 mL). The mixture was stirred at 150 oC for 36 h. After the completion of the reaction, monitored by TLC, the solvent was evaporated under reduced pressure and the residue was purified by flash column chromatography on silica gel to give the product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67%; 30% | With diisobutylaluminium hydride; ammonium chloride; In tetrahydrofuran; at 66℃; for 16h;Inert atmosphere; | General procedure: The solution of aminoalane reagent (prepared from 20 equiv. DIBAL-H in case of ester and lactonesubstrates or from 40 equiv. in case of carboxylic acid and amide substrates) was added to a solutionof carboxylic acid (1 eqiuv.) or its derivative (lactone, ester or amide, 1 equiv.) in anhydrous THF atroom temperature. Stirring was continued for 16 hours at 66 C. After this time, the reaction mixturewas cooled, quenched with aqueous solution of KHSO4 and the product was extracted with CHCl3.The extract was washed with water, dried over anhydrous sodium sulfate, and the solvent was evaporated. The crude product was purified by silica gel chromatography with hexane / ethyl acetateelution. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
77%; 23% | With diisobutylaluminium hydride; ammonium chloride; In tetrahydrofuran; at 66℃; for 16h;Inert atmosphere; | General procedure: The solution of aminoalane reagent (prepared from 20 equiv. DIBAL-H in case of ester and lactonesubstrates or from 40 equiv. in case of carboxylic acid and amide substrates) was added to a solutionof carboxylic acid (1 eqiuv.) or its derivative (lactone, ester or amide, 1 equiv.) in anhydrous THF atroom temperature. Stirring was continued for 16 hours at 66 C. After this time, the reaction mixturewas cooled, quenched with aqueous solution of KHSO4 and the product was extracted with CHCl3.The extract was washed with water, dried over anhydrous sodium sulfate, and the solvent was evaporated. The crude product was purified by silica gel chromatography with hexane / ethyl acetateelution. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With ammonium bicarbonate; copper(II) nitrate; In dimethyl sulfoxide; at 140℃; under 15001.5 Torr; for 30h;Autoclave; | General procedure: To a stainless steel autoclave lined with Teflon, 0.5 mmol substrate,0.075 mmol Cu(NO3)2, 1 mmol (NH4)2CO3, and 2 mLDMSO were added. Then the reactor was filled with 2 MPaoxygen and was heated under magnetic stirring at 140 C for 30h or 40 h (Caution: the use of the high-pressure oxygen ispotentially hazardous. Thus, experiments using the high-pressureoxygen must only be carried out under rigorous safety precautions,and it is required to use the appropriate high-pressurereactor to avoid the potential leakage or explosion of the gas).Once the reaction time was reached, the mixture was cooled toroom temperature, diluted with 30 mL diethyl ether, and filteredvia a Celite pad. The organic mixture was washed withwater (3 × 5 mL), dried with anhydrous sodium sulfate, and concentratedin vacuum. GC analysis provided the GC yields of theproduct with an internal standard. In addition, the combinedcrude product from another 1-5 parallel experiments was purifiedby column chromatography and identified by 1H NMR and13C NMR spectroscopy. All the products are the known compounds,and the analytical data of several typical compoundsare as follows: |