5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole

• ChemBase编号: 296389
• 分子式: C15H29BN2O3Si
• 平均质量: 324.29886
• 单一同位素质量: 324.20404973
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccnn1COCC[Si](C)(C)C
• Canonical SMILES: C[Si](CCOCn1nccc1B1OC(C(O1)(C)C)(C)C)(C)C
• InChI: InChI=1S/C15H29BN2O3Si/c1-14(2)15(3,4)21-16(20-14)13-8-9-17-18(13)12-19-10-11-22(5,6)7/h8-9H,10-12H2,1-7H3
• InChIKey: FVCZMGOMGHMAIX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole
• IUPAC传统名: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-{[2-(trimethylsilyl)ethoxy]methyl}pyrazole
• 别名: 1-(2-三甲硅烷乙氧基)甲基-1H-吡唑-5-硼酸频哪酯; 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)-1H-pyrazole; 1-(2-Trimethylsilylethoxy)methyl-1H-pyrazole-5-boronic acid pinacol ester

登记号

• MDL号: MFCD09037502
• PubChem SID: 180681920
• PubChem CID: 44755201

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.1617937
• LogD (pH = 7.4): 4.1618
• Log P: 4.1618
• 摩尔折射率: 90.1534 cm^3
• 极化性: 35.493008 Å^3
• 极化表面积: 45.51 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 95%