2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 144237
• 分子式: C11H19BO3
• 平均质量: 210.07776
• 单一同位素质量: 210.14272487
• SMILES: B1(OC(C(O1)(C)C)(C)C)C1=CCCCO1
• Canonical SMILES: CC1(C)OB(OC1(C)C)C1=CCCCO1
• InChI: InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9/h7H,5-6,8H2,1-4H3
• InChIKey: RNRIMDSCBRDPLC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,4-dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-(5,6-dihydro-4H-pyran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: 2-(5,6-Dihydro-4H-pyran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3,4-Dihydro-2H-pyran-6-boronic acid pinacol ester; 3,4-DIHYDRO-2H-PYRAN-6-BORONIC ACID PINACOL ESTER; 2-(3,4-Dihydro-2H-pyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

登记号

• CAS号: 1025707-93-0
• MDL号: MFCD07368233
• PubChem SID: 162238453
• PubChem CID: 16414196

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.1978
• LogD (pH = 7.4): 3.1978
• Log P: 3.1978
• 摩尔折射率: 64.2003 cm^3
• 极化性: 23.351263 Å^3
• 极化表面积: 27.69 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

• 闪点: 102 °C; 215.6 °F
• 密度: 1.014 g/mL at 25 °C

安全信息

• 德国WGK号: 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95+%; 98%
• Empirical Formula (Hill Notation): C11H19BO3

详细说明

Sigma Aldrich - 731595

包装
1, 5 g in glass bottle