4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

• ChemBase编号: 16263
• 分子式: C15H23BN2O3
• 平均质量: 290.16572
• 单一同位素质量: 290.18017301
• SMILES: c1cc(cnc1N1CCOCC1)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(17-11-12)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3
• InChIKey: ZGDLVKWIZHHWIR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
• IUPAC传统名: 4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
• 别名: 6-(4-吗啉基)吡啶-3-硼酸频哪醇酯; 1-[5-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)吡啶-2-基]吗啉; 6-(吗啉-4-基)吡啶-3-硼酸频哪醇酯; 4-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine; 6-(4-Morpholino)pyridine-3-boronic acid pinacol ester; 6-(4-Morpholinyl)pyridine-3-boronic acid pinacol ester; 1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine; 6-(Morpholin-4-yl)pyridine-3-boronic acid pinacol ester; 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine; 4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl-pyridin-2-yl]-morpholine; 2-Morpholinopyridine-5-boronic acid, pinacol ester; 4-[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yl]-morpholine; 6-(MORPHOLIN-4-YL)PYRIDINE-3-BORONIC ACID PINACOL ESTER; 4-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine

登记号

• CAS号: 485799-04-0
• MDL号: MFCD04039874
• PubChem SID: 24884028; 160979570
• PubChem CID: 2795363

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.0334423
• LogD (pH = 7.4): 3.206166
• Log P: 3.2089
• 摩尔折射率: 77.3728 cm^3
• 极化性: 31.572851 Å^3
• 极化表面积: 43.82 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 132-135°C; 133.6-133.8°C; 135-139 °C(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C15H23BN2O3

详细说明

Sigma Aldrich - 654310

包装
1, 5 g in glass bottle