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CAS No. : | 1137129-05-5 | MDL No. : | MFCD24038554 |
Formula : | C10H5BrFNO2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | N/A |
M.W : | 302.12 | Pubchem ID : | 68474259 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 78.4 | H-Bond Acceptor Count : | 5 |
XLogP3 : | 3.6 | H-Bond Donor Count : | 1 |
SP3 : | 0.00 | Rotatable Bond Count : | 2 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
EXAMPLE 1; (S)-6-methyl-imidazo[2,1-b]thiazole-5-carboxylic acid{1-[5-(4-fluoro-phenyl)-2-(2-fluoro-phenyl)-thiazole-4-carbonyl]-piperidin-2-ylmethyl}-amide; 1.1. (S)-{1-[2-bromo-5-(4-fluoro-phenyl)-thiazole-4-carbonyl]-piperidin-2-ylmethyl}-carbamic acid tert-butyl ester; 2-bromo-5-(4-fluoro-phenyl)-thiazole-4-carboxylic acid (1.02 g, 3.38 mmol) was dissolved in acetonitrile (20 ml) followed by the addition of TBTU (1.19 g, 3.72 mmol) and DIPEA (547 mg, 4.22 mmol). Stirring was continued for 30 min. at rt. A solution of <strong>[139004-93-6](S)-piperidin-2-ylmethyl-carbamic acid tert-butyl ester</strong> (725 mg, 3.38 mmol) in acetonitrile (20 ml) was added to the reaction mixture within 10 minutes and stiring was continued at rt for 24 h. The reaction mixture was concentrated under reduced pressure followed by the addition of aq. HCl (0.5 M, 50 ml). Stirring was continued for 30 min. The precipitated product was filtered off, washed with cold water and dried at HV to give the expected product (1.57 g). LC-MS: tR=1.03 min; [M+H]+=500.38. |
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