2-[(Z)-1,2-diphenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase编号: 295013
• 分子式: C26H34B2O4
• 平均质量: 432.16776
• 单一同位素质量: 432.26432037
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C(=C(\B1OC(C(O1)(C)C)(C)C)/c1ccccc1)/c1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)/C(=C(/c1ccccc1)\B1OC(C(O1)(C)C)(C)C)/c1ccccc1
• InChI: InChI=1S/C26H34B2O4/c1-23(2)24(3,4)30-27(29-23)21(19-15-11-9-12-16-19)22(20-17-13-10-14-18-20)28-31-25(5,6)26(7,8)32-28/h9-18H,1-8H3/b22-21-
• InChIKey: YFLBNMYBKXYNJN-DQRAZIAOSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(Z)-1,2-diphenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC传统名: 2-[(Z)-1,2-diphenyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 别名: (Z)-均二苯代乙烯二硼酸双(频那醇)酯; cis-1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)stilbene; (Z)-Stilbenediboronic acid bis(pinacol) ester

登记号

• CAS号: 221006-76-4
• MDL号: MFCD02683500
• Beilstein号: 9081275
• PubChem SID: 180680544
• PubChem CID: 2773600

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.4698
• LogD (pH = 7.4): 6.4698
• Log P: 6.4698
• 摩尔折射率: 120.6458 cm^3
• 极化性: 50.924618 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 176-179°C

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 98%