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CAS No. : | 54329-54-3 | MDL No. : | MFCD05667936 |
Formula : | C11H13NO2 | Boiling Point : | 343°C at 760 mmHg |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 191.23 | Pubchem ID : | 3157491 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 40.5 | H-Bond Acceptor Count : | 3 |
XLogP3 : | -0.9 | H-Bond Donor Count : | 1 |
SP3 : | 0.36 | Rotatable Bond Count : | 1 |
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 |
---|---|---|
53% | With hydrogenchloride; formaldehyd In formic acid; water | PREPARATION 3 2-Methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid A solution of 0.364 g (2.07 mmol) of 3-carboxy-1,2,3,4-tetrahydroisoquinoline in 25 mL of formic acid was combined with 2.5 mL of 37percent formaldehyde. The resulting mixture was allowed to reflux for approximately 17 hours. After cooling, the mixture was contentrated under reduced pressure to provide a gum. This gum was dissolved in 3.0 mL of water, adjusted to a pH 2 using hydrochloric acid and then purified using ion-exchange chromatography (Dowex 50x-8, 100 meshcation) to provide 0.21 g of a yellow powder. Yield: 53percent 1 H NMR (DMSO-d6): δ2.56 (S, 3H), 3.01 (m, 2H), 3.48 (t, 1H), 3.9 (dd, 2H) 7.05 (m, 1H), 7.13 (m, 3H). MS (FD): m/e 192 (M+2). |
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