2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pyridine

• ChemBase编号: 173583
• 分子式: C10H13NO2
• 平均质量: 179.21572
• 单一同位素质量: 179.09462866
• SMILES: n1cc(ccc1C)C1(OCCO1)C
• Canonical SMILES: Cc1ccc(cn1)C1(C)OCCO1
• InChI: InChI=1S/C10H13NO2/c1-8-3-4-9(7-11-8)10(2)12-5-6-13-10/h3-4,7H,5-6H2,1-2H3
• InChIKey: ILYJYEOMKPXGLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pyridine
• IUPAC传统名: 2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pyridine
• 别名: 3-(2-Methyl-1,3-dioxolan-2-yl)-6-methylpyridine

登记号

• CAS号: 184766-45-8
• PubChem SID: 164229493
• PubChem CID: 4197135

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.9687318
• LogD (pH = 7.4): 1.1158873
• Log P: 1.1181606
• 摩尔折射率: 48.8936 cm^3
• 极化性: 19.208534 Å^3
• 极化表面积: 31.35 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Acetone; Chloroform; Dichloromethane; DMF; DMSO; Methanol
• 外观: Colourless Oil
• 沸点: 55-56°C/Oil Pump

详细说明

Toronto Research Chemicals - M303640

3-(2-Methyl-1,3-dioxolan-2-yl)-6-methylpyridine is used in the synthesis and biological activity of metabolites of the antidiabetic, antihyperglycemic agent Pioglitazone (P471000).

参考文献

• Defronzo, R., et al.: Diabetes, 1988, 37, 667 (1988)
• Hulin, B., et al.: J. Med. Chem., 35, 1853 (1988)
• Iwanishi, M., et al.: Metabolism, 42, 1017 (1988)