Structure of 213453-08-8
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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. : | 213453-08-8 |
Formula : | C10H15BrO4 |
M.W : | 279.13 |
SMILES Code : | C(OC(=O)C(C)(C)Br)COC(=O)C(=C)C |
MDL No. : | MFCD18785732 |
InChI Key : | QXDYJUSFCUKOQD-UHFFFAOYSA-N |
Pubchem ID : | 21216988 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H302 |
Precautionary Statements: | P264-P270-P301+P312-P330-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 |
---|---|---|
The 2-(bromoisobutyryloxy)ethyl methacrylate (BIEM, 2b) monomer was synthesized using a modified method following a previous report.4 In a typical run, HEMA (5.0 g, 0.038 mol) and triethylamine (7.8 g, 0.077 mol) were dissolved in dichloromethane (48.9 g, 0.6 mol) in a round-bottomed Schlenk flask under nitrogen. The reaction mixture was stirred at 0 C. and degassed by N2 for 45 min. α-bromoisobutyryl bromide (10.6 g, 0.046 mol) was then added drop-wise over a period of 20 min. After the reaction mixture was stirred for another 6 h at 0 C., the insoluble solids were filtered off. The filtrate was washed three times each with de-ionized water (3×50 mL), 0.5 M NaHCO3 (3×50 mL) and saturated NaCl (3×50 mL) aqueous solutions, respectively. Subsequently, MgSO4 was added to remove trace water and filtered off. The filtrate was evaporated to dryness. The final product, BIEM (2b), was further dried in a vacuum oven and its structure was confirmed by 1H NMR (FIG. 13A). |
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