Structure of 4535-87-9
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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'.
CAS No. : | 4535-87-9 |
Formula : | C4H11Cl2N |
M.W : | 144.04 |
SMILES Code : | ClCCNCC.[H]Cl |
MDL No. : | MFCD00050518 |
InChI Key : | ZNPQLXDWQPMSMR-UHFFFAOYSA-N |
Pubchem ID : | 13014036 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
* 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 |
---|---|---|
With thionyl chloride; In toluene; | 1. A total of 22 parts 2-(ethylamino)ethanol was added to 75 parts toluene and the solution was cooled to -10 C. Then a solution of 33 parts thionyl chloride in 25 parts toluene was slowly added with agitation over 2.5 hours while maintaining the temperature at below -10 C. The mixture was brought to a temperature of about 100 C. and 100 parts toluene were added. The mixture was agitated for 1 hour, cooled to 82 C., and maintained at 82 C. for 3 hours and then cooled to 24 C. N-(2-Chloroethyl)ethylamine hydrochloride was recovered by filtration and washed with toluene. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In water; | C. Preparation of N-(Ethyl)-N-(2-chloroethyl)aminomethylphosphonic Acid (Zwitterion Reagents C-1 and C-2) The procedure described in Preparation A was followed except that 36 and 72 parts of <strong>[4535-87-9]N-(2-chloroethyl)ethylamine hydrochloride</strong> were used to prepare C-1 and C-2, respectively. Then 75 parts water were added and the pH adjusted to 1.5. | |
In water; | C. Preparation of N-(Ethyl)-N-(2-chloroethyl)aminomethylphosphonic Acid (Zwitterion Reagents C-1 and C-2) The procedure described in Preparation A was followed except that 36 parts and 72 parts of <strong>[4535-87-9]N-(2-chloroethyl)ethylamine hydrochloride</strong> were used to prepare Reagents C-1 and C-2, respectively. Then 75 parts water were added and the pH adjusted to 1.5. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
28.51% | With potassium carbonate; potassium iodide; In acetonitrile; at 60.0℃; | Dissolve 2.0 g of ginkgolide K in 50 mL of acetonitrile.0.85 g of ethylaminochloroethane hydrochloride (1.2 eq) are added in sequence,6.81 g of potassium carbonate (10 eq) and 0.82 g of KI catalyst were reacted at 60 C. until the reaction of the raw material ginkgo lactone K was completed. Cooled to room temperature, filtered and the filtrate was evaporated to a pale yellow solid. Purification by column chromatography (V petroleum ether: V ethyl acetate = 2:1) gave a white solidBody 0.67 g GK-6, yield 28.51%. HPLC purity 99.17%. |