2-{[(tert-butyldimethylsilyl)oxy]methyl}-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine

• ChemBase编号: 44960
• 分子式: C20H32BNO4Si
• 平均质量: 389.36888
• 单一同位素质量: 389.21936544
• SMILES: c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(OCc1cc2c(o1)cc(cn2)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C20H32BNO4Si/c1-18(2,3)27(8,9)23-13-15-11-16-17(24-15)10-14(12-22-16)21-25-19(4,5)20(6,7)26-21/h10-12H,13H2,1-9H3
• InChIKey: INHBSQTVWYQOCB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{[(tert-butyldimethylsilyl)oxy]methyl}-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine
• IUPAC传统名: 2-{[(tert-butyldimethylsilyl)oxy]methyl}-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine
• 别名: 2-((tert-Butyldimethylsilyloxy)methyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine; 2-((tert-Butyldimethylsilyloxy)methyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyr; 2-((tert-Butyldimethylsilyloxy)methyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[3,2-b]pyridine

登记号

• CAS号: 1188927-49-2
• MDL号: MFCD12401663
• PubChem SID: 162049723
• PubChem CID: 46737925

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.058729
• LogD (pH = 7.4): 5.0587993
• Log P: 5.0588
• 摩尔折射率: 98.5668 cm^3
• 极化性: 44.005825 Å^3
• 极化表面积: 53.72 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C20H32BNO4Si

详细说明

Sigma Aldrich - ADE001165

Other Notes
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