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CAS No. : | 64175-51-5 | MDL No. : | MFCD04114279 |
Formula : | C10H8O3 | Boiling Point : | 331.1°C at 760 mmHg |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 176.17 | Pubchem ID : | 2762940 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 50.4 | H-Bond Acceptor Count : | 3 |
XLogP3 : | 1.8 | H-Bond Donor Count : | 1 |
SP3 : | 0.10 | Rotatable Bond Count : | 2 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H319 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
EXAMPLE 18 Benzofuran-3-yl-acetic acid A solution of compound 6 (6.23 g, 33 mmol) and lithium hydroxide monohydrate (1.45 g, 35 mmol) in tetrahydrofuran (50 ml,), water (35 mL), and methanol (14 mL) was stirred for 6.5 hours at room temperature. Water (70 mL) was added, and the reaction mixture was acidified to pH 4 using 2 M HCl and extracted with dichloromethane (5*200 mL). The organics were dried (MgSO4) and the solvent removed in vacuo to give a brown solid. This was dissolved in diethyl ether, heptane was added, and the mixture was stirred overnight. Solvent was removed by syringe to give product as a pale brown solid, 27 mmol, 80%. 1 H NMR (400 MHz, CDCl3): delta7.64 (1H, s); 7.58-7.56 (1H, m); 7.50-7.48 (1H, m); 7.34-7.24 (2H, m); 3.76 (2H, s). |
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