Structure of 57322-44-8
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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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CAS No. : | 57322-44-8 |
Formula : | C12H12O |
M.W : | 172.22 |
SMILES Code : | OCC1=C2C=CC=CC2=C(C)C=C1 |
MDL No. : | MFCD00155252 |
InChI Key : | RRSGUDDGNKMFRY-UHFFFAOYSA-N |
Pubchem ID : | 278678 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
* 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 dichloromethane; at 0 - 20℃;Inert atmosphere; | General procedure: To a solution of arylmethanol (1.0 equiv) in CH2Cl2 (0.20 M) was added thionyl chloride (2.0equiv) at 0 C. After stirring the mixture at room temperature for several hours with monitoringreaction progress by TLC, the reaction was quenched with NaHCO3 aq. and extracted three times withCH2Cl2. The combined organic layer was dried over Na2SO4, filtrated, and concentrated in vacuo toafford S1. To a solution of S1 (1.0 equiv) in MeOH (0.2 M) was added trimethylamine in MeOH (3.2M, 1.2 equiv) at room temperture. After stirring the mixture at room temperature for several hourswith monitoring reaction progress by TLC, the mixture was concentrated in vacuo. The residue wastriturated in Et2O, and then filtrated to afford the corresponding benzyl ammonium 1. |
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