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Structure of 157014-35-2
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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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CAS No. : | 157014-35-2 |
Formula : | C9H8BrFO2 |
M.W : | 247.06 |
SMILES Code : | COC1=CC=C(C(CBr)=O)C(F)=C1 |
MDL No. : | MFCD03730100 |
InChI Key : | OKLFPKDKQYVRNJ-UHFFFAOYSA-N |
Pubchem ID : | 5119591 |
GHS Pictogram: |
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Signal Word: | Danger |
Hazard Statements: | H302-H335-H314 |
Precautionary Statements: | P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501 |
Class: | 8 |
UN#: | 3261 |
Packing Group: | Ⅱ |
* 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 following compounds were synthesised by substantially the same procedure as Reference Example 1. ... 2-Bromo-2'-trifluoromethylacetone, 2-Bromo-3'-(2-methoxyethoxy)acetophenone, 2-(Bromoacetyl)furan, 2-Bromo-3'-fluoro-4'-methoxyacetophenone, 2-Bromo-2'-fluoro-4'-methoxyacetophenone, 2-Bromo-4'-(2-fluoroethoxy)acetophenone, 2-Bromo-3'-(2-fluoroethoxy)acetophenone, 2-Bromo-5'-bromo-2',4'-diethoxypropiophenone, ... | ||
Typical examples of the halomethyl phenyl ketones (2) wherein X is a bromine atom include 2 -bromoacetophenone, ... 2-bromo-4'-chloro-2'-fluoroacetophenone, 2-bromo-2',4'-difluoroacetophenone, 2-bromo-4'-bromo-2'-fluoroacetophenone, 2-bromo-2'-fluoro-4'-methylacetophenone, 2-bromo-2'-fluoro-4'-methoxyacetophenone, 2-bromo-4'-ethoxy-2'-fluoroacetophenone, 2-bromo-4'-chloro-2'-ethoxyacetophenone, 2-bromo-4'-bromo-2'-ethoxyacetophenone, ... |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
EXAMPLE 106 2-Bromo-2'-fluoro-4'-methoxyacetophenone (VI) Following the general procedure of EXAMPLE 100 and making non-critical variations but starting with 2'fluoro-4'-methoxyacetophenone (Aldrich Chemical Co.), the title compound is obtained, mp 67-69; NMR (CDCl3, TMS) 7.95, 6.79, 6.64, 4.48δ; HRMS (EI, m/z) calculated for C9 H8 BrFO2 M+ found=246 and 248. |
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