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[ CAS No. 153036-72-7 ] {[proInfo.proName]}

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Chemical Structure| 153036-72-7
Chemical Structure| 153036-72-7
Structure of 153036-72-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 153036-72-7 ]

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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* 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.

  • Upstream synthesis route of [ 153036-72-7 ]
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[ 153036-72-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 153036-72-7 ]
  • [ 152628-03-0 ]
YieldReaction ConditionsOperation 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.
Reference: [1] Patent: WO2010/149360, 2010, A1, . Location in patent: Page/Page column 11
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