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CAS No. : | 153036-72-7 | MDL No. : | |
Formula : | C12H13N3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 199.25 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Class: | ||
Precautionary Statements: | UN#: | ||
Hazard Statements: | Packing Group: |
* 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 |
---|---|---|
30% | With hydrogenchloride; water In 1,4-dioxane at 100℃; for 16 h; | Example 97-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid (I1 R1 = CH3, R2 = /7-C3H7,R3 = COOH)The mixture of 7-methyl-2-propyl-3H-benzoimidazole-5-carbonitrile (250 mg, 1 mmol, 1.0 eq.), aqueous hydrochloric acid (36percent, 2.5 ml_, 29 mmol, 2.3 eq.) in 1 ,4-dioxane (2.5 ml_) was heated to 100 0C for 16 h. After removal of volatiles, the concentrate was diluted with methanol, and decolorized with activated carbon to give a white solid. Yield: 85 mg (30percent). The spectral data of this product were identical to that of commercial product:1H NMR (400 MHz, DMSO-d6): δ 12.42 (s, 1 H), 7.82 (s, 1 H), 7.56 (s, 1 H), 2.80 (t, J= 7.4 Hz, 2H), 2.50 (s, 3H), 1.79 (qd, J= 7.4 Hz, J = 7.32 Hz, 2H), 0.94 (t, J= 7.32 Hz, 3H). 13C NMR (100 MHz, DMSO-d6): δ 168.6, 157.5, 124.1 , 123.3, 31.0, 21.4, 17.1 , 14.2. |