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Name
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2 - [(6 - Chloro - 3,4 - dihydro - 3 - methyl - 2,4 - dioxo - 1(2H) - pyrimidinyl)methyl]benzonitrile
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English Synonyms
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Alogliptin Related Compound 28;alogliptin impurity 2
2 - [(6 - chloro - 3 - methyl - 2,4 - dioxo - 3,4 - dihydropyrimidin - 1(2H) - yl)methyl]benzonitrile;
2 - [(6 - Chloro - 3 - methyl - 2,4 - dioxo - 3,4 - dihydropyrimidin - 1(2H) - yl)methyl]benzonitrile;Benzenenitrile,
2 - [(6 - chloro - 3,4 - dihydro - 3 - methyl - 2,4 - dioxo - 1(2H) - pyrimidinyl)methyl];
2 - [(6 - Chloro - 3 - Methyl - 2,4 - dioxo - 3,4 - dihydropyrimidin - 1(2H) - yl)methyl]benzonitrile;
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CAS
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865758 - 96 - 9
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MF
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C₁₃H₁₀ClN₃O₂
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MW
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275.69
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EINECS
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695 - 742 - 0
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Melting Point
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162 - 164°C
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Boiling Point
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418.0±55.0 °C (Predicted)
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Density
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1.44
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Storage Conditions
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2 - 8°C
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Solubility
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Soluble in DMSO (with sonication); slightly soluble in methanol (with heating and sonication)
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Form
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Solid
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Acid Dissociation Constant (pKa)
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-3.65±0.40 (Predicted)
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Color
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White to off - white
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Usage
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1. Reagent for Antibacterial Drug Synthesis: It is a key reagent for synthesizing 1-(6-amino-3,5-difluoropyridin-2-yl) fluoroquinolones with anti-mycobacterial and antibacterial activities.
2. Intermediate in Pharmaceutical R&D: As an intermediate in organic synthesis and chemical pharmaceutical R&D, it is mainly used in the synthesis of antitumor drugs (e.g., crizotinib), facilitating the R&D and production of related drugs.
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