4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane

• ChemBase编号: 77465
• 分子式: C11H17BO3
• 平均质量: 208.06188
• 单一同位素质量: 208.1270748
• SMILES: o1ccc(c1C)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: Cc1occc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BO3/c1-8-9(6-7-13-8)12-14-10(2,3)11(4,5)15-12/h6-7H,1-5H3
• InChIKey: JMLBPHNESOKSEV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-(2-methylfuran-3-yl)-1,3,2-dioxaborolane
• 别名: 4,4,5,5-tetramethyl-2-(2-methyl-3-furyl)-1,3,2-dioxaborolane; 2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan; 2-(2-Methylfur-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-Methylfuran-3-boronic acid, pinacol ester; 4,4,5,5-Tetramethyl-2-(2-methyl-3-furanyl)-1,3,2-dioxaborolane

登记号

• CAS号: 864776-02-3
• MDL号: MFCD09879905
• PubChem SID: 162042337
• PubChem CID: 24229547

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.0991
• LogD (pH = 7.4): 3.0991
• Log P: 3.0991
• 摩尔折射率: 53.3762 cm^3
• 极化性: 22.635939 Å^3
• 极化表面积: 31.6 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Toxic/Harmful/Irritant/Store under Argon

产品相关信息

• 纯度: 90%; 95+%